SCHEMBL6429531

SCHEMBL6429531

O=C(O)[C@H](Cc1ccc(OC(=O)N2CCCC2)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 12/20 0.66
ITGA5 P08648 4/20 0.66
ITGA4 P13612 8/20 0.61
ITGB7 P26010 4/20 0.61
ITGAV P06756 4/20 0.49
ITGA2 P17301 1/20 0.49
LMNA P02545 1/20 0.49
FKBP1A P62942 2/20 0.48
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19639190 1.00 ITGB1 (0.66) ITGB1ITGA5ITGA4ITGB7ITGAV
SCHEMBL19661136 1.00 ITGB1 (0.66) ITGB1ITGA5ITGA4ITGB7ITGAV
SCHEMBL19678647 1.00 ITGB1 (0.66) ITGB1ITGA5ITGA4ITGB7ITGAV
SCHEMBL17833024 1.00 ITGB1 (0.66) ITGB1ITGA5ITGA4ITGB7ITGAV
SCHEMBL19678622 1.00 ITGB1 (0.66) ITGB1ITGA5ITGA4ITGB7ITGAV
SCHEMBL23519701 1.00 ITGB1 (0.66) ITGB1ITGA5ITGA4ITGB7ITGAV
SCHEMBL21955605 0.99 ITGB1 (0.65) ITGB1ITGA5ITGA4ITGB7ITGAV
SCHEMBL23519439 0.92 ITGB1 (0.56) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL19639216 0.92 ITGB1 (0.56) ITGB1ITGA5ITGA4ITGB7ITGA2
SCHEMBL19639217 0.92 ITGB1 (0.56) ITGB1ITGA5ITGA4ITGB7ITGA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001764-A4 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2005-08-24 EP claimed
JP-2002512625-A 2002-04-23 JP claimed
EP-1001764-A1 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-05-24 EP claimed
WO-1999064395-A1 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1999-12-16 WO claimed
WO-1998053814-A1 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1998-12-03 WO claimed
US-20250381168-A1 VLA4 INHIBITORS AND USES THEREOF WASHINGTON UNIVERSITY ST LOUIS (US) 2025-12-18 US disclosed
US-20250319200-A1 ADENOVIRAL GENE THERAPY VECTORS ENSOMA INC (US) 2025-10-16 US disclosed
US-12419619-B2 Aspiration device YALE UNIVERSITY (US) 2025-09-23 US disclosed
US-20250135039-A1 INHIBITOR-RESISTANT MGMT MODIFICATIONS AND MODIFICATION OF MGMT-ENCODING NUCLEIC ACIDS FRED HUTCHINSON CANCER CENTER 2025-05-01 US disclosed
US-20250082777-A1 METHODS OF EX VIVO DOSING AND ADMINISTRATION OF LIPID PARTICLES OR VIRAL VECTORS AND RELATED SYSTEMS AND USES SANA BIOTECHNOLOGY, INC. 2025-03-13 US disclosed
US-20240368582-A1 MODIFICATION OF EPOR-ENCODING NUCLEIC ACIDS ENSOMA, INC. 2024-11-07 US disclosed
EP-4360567-A2 ASPIRATION DEVICE Yale University (US) 2024-05-01 EP disclosed
WO-2018152371-A1 IN VIVO GENE THERAPY FOR IMMUNE DEFICIENCIES FRED HUTCHINSON CANCER RESEARCH CENTER (US) 2018-08-23 WO disclosed
US-20170348375-A1 DISLODGEMENT AND RELEASE OF HSC FROM THE BONE MARROW STEM CELL NICHE USING ALPHA9 INTEGRIN ANTAGONISTS COMMW SCIENT IND RES ORG (AU) 2017-12-07 US disclosed
US-20170348375-A1 DISLODGEMENT AND RELEASE OF HSC FROM THE BONE MARROW STEM CELL NICHE USING ALPHA9 INTEGRIN ANTAGONISTS COMMW SCIENT IND RES ORG (AU) 2017-12-07 US disclosed
US-20170340693-A1 DISLODGEMENT AND RELEASE OF HSC USING ALPHA 9 INTEGRIN ANTAGONIST AND CXCR4 ANTAGONIST COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2017-11-30 US disclosed
US-20170340693-A1 DISLODGEMENT AND RELEASE OF HSC USING ALPHA 9 INTEGRIN ANTAGONIST AND CXCR4 ANTAGONIST COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2017-11-30 US disclosed
CN-107405331-A Migrated using the integrin antagonists of α 9 from stem cell tabernacle and discharge HSC 联邦科学和工业研究组织 2017-11-28 CN disclosed
CN-107206085-A Use α9The HSC of integrin antagonists and CXCR4 antagonists migration and release 联邦科学和工业研究组织 2017-09-26 CN disclosed
WO-2016090403-A1 DISLODGEMENT AND RELEASE OF HSC FROM THE BONE MARROW STEM CELL NICHE USING ALPHA9 INTEGRIN ANTAGONISTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-06-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170348375-A1 DISLODGEMENT AND RELEASE OF HSC FROM THE BONE MARROW STEM CELL NICHE USING ALPHA9 INTEGRIN ANTAGONISTS CXCL12, BST2, CCR9 ITGB1 6/4885ITGA5 19/4885ITGA4 26/4885
US-20170340693-A1 DISLODGEMENT AND RELEASE OF HSC USING ALPHA 9 INTEGRIN ANTAGONIST AND CXCR4 ANTAGONIST CXCL12, CXCR4, CCR9 ITGB1 8/4885ITGA5 20/4885ITGA4 42/4885
US-20250381168-A1 VLA4 INHIBITORS AND USES THEREOF CXCR4, SDF4, ITGB4 ITGB1 27/4885ITGA5 81/4885ITGA4 5/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.