SCHEMBL5567726

SCHEMBL5567726

O=C(CCCCCc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)O)s1)NC1=NCCCN1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.69
ITGAV P06756 20/20 0.69
ITGA2B P08514 13/20 0.69

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
SCHEMBL14546828 1.00 ITGB3 (0.69) ITGB3ITGAVITGA2B
SCHEMBL5561642 0.99 ITGB3 (0.70) ITGB3ITGAVITGA2B
SCHEMBL5561128 0.91 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL5567560 0.90 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL5566167 0.86 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL14547080 0.86 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL5566170 0.86 ITGB3 (0.61) ITGB3ITGAVITGA2B
SCHEMBL14547071 0.84 ITGB3 (0.62) ITGB3ITGAVITGA2B
SCHEMBL5560942 0.84 ITGB3 (0.62) ITGB3ITGAVITGA2B
SCHEMBL5560949 0.84 ITGB3 (0.62) ITGB3ITGAVITGA2B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240161-B1 THIENYLALANINE DERIVATIVES AS INHIBITORS OF CELL ADHESION AVENTIS PHARMA GMBH (DE) 2007-04-18 EP disclosed
US-6762190-B2 VITRONECTIN RECEPTOR ANTAGONISTS; SUPPRESSING OSTEOCLAST BONE RESORPTION; PREVENTING ANGIOGENESIS OR VASCULAR SMOOTH MUSCLE PROLIFERATION AVENTIS PHARMA S.A. DEUTSCHLAND GMBH GENENTECH, INC. (DE) 2004-07-13 US disclosed
US-20030105080-A1 Thienylalanine derivatives as inhibitors of cell adhesion AVENTIS PHARMA S.A. DEUTSCHLAND GMBH (DE) 2003-06-05 US disclosed
EP-1240161-A1 THIENYLALANINE DERIVATIVES AS INHIBITORS OF CELL ADHESION Aventis Pharma Deutschland GmbH (DE) 2002-09-18 EP disclosed
WO-2001044237-A1 THIENYLALANINE DERIVATIVES AS INHIBITORS OF CELL ADHESION AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-06-21 WO disclosed
EP-1108721-A1 Thienylalanine derivatives as inhibitors of cell adhesion Aventis Pharma Deutschland GmbH (DE) 2001-06-20 EP 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 (1 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-20030105080-A1 Thienylalanine derivatives as inhibitors of cell adhesion VCAM1, TEK, ADGRF1 ITGB3 5/4885ITGAV 31/4885ITGA2B 30/4885

“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.