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Related Experiment Video

Updated: Jun 26, 2025

Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source

Achieving Efficient Fragment Screening at XChem Facility at Diamond Light Source

Published on: May 29, 2021

Exploring SureChEMBL from a drug discovery perspective.

Yojana Gadiya^1,2,3, Simran Shetty^4,5,6, Martin Hofmann-Apitius^7,8

¹Fraunhofer Institute for Translational Medicine and Pharmacology (ITMP), Schnackenburgallee 114, 22525, Hamburg, Germany. Yojana.Gadiya@itmp.fraunhofer.de.

Scientific Data

|May 16, 2024

Summary

This summary is machine-generated.

This study analyzes SureChEMBL patent data to identify potential drug candidates. We assess compounds for drug-likeness and development stage, aiding pharmaceutical drug discovery.

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Last Updated: Jun 26, 2025

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Published on: May 29, 2021

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Published on: December 1, 2020

Area of Science:

Pharmaceutical Chemistry
Medicinal Chemistry
Drug Discovery Informatics

Background:

Drug development is costly, making patent protection crucial.
Analyzing patent documents helps identify freedom-to-operate for new drug candidates.
Public repositories offer automated methods for extracting therapeutic agent information.

Purpose of the Study:

To provide a comprehensive overview of patent compounds in SureChEMBL.
To assess the relevance of these compounds for pharmaceutical drug discovery.
To evaluate compounds based on drug-likeness and clinical development stage.

Main Methods:

Explored SureChEMBL, a public patent database for life sciences.
Identified patent compounds across public chemical data resources.
Pinpointed chemical annotations within patent documents.
Evaluated compounds for drug-likeness criteria.
Examined reported drug development stages for clinical success.

Main Results:

Catalogued patent compounds from the SureChEMBL database.
Assessed the drug-likeness and potential of identified compounds.
Analyzed the clinical development status of these pharmaceutical compounds.
Provided insights into the relevance of SureChEMBL compounds for drug discovery.

Conclusions:

SureChEMBL is a valuable resource for identifying patent compounds in life sciences.
The study demonstrates a methodology for assessing drug candidate potential from patent data.
Findings contribute to understanding the landscape of compounds relevant to pharmaceutical drug discovery.