SCHEMBL5562292

SCHEMBL5562292

O=C(N[C@@H](Cc1ccc(Br)s1)C(=O)O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.51
ITGB3 P05106 7/20 0.50
ITGA2B P08514 7/20 0.50
TACR1 P25103 2/20 0.49
TYR P14679 1/20 0.48
CTSK P43235 2/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ALOX15 P16050 1/20 0.47
ITGAV P06756 1/20 0.47
MME P08473 1/20 0.47
ECE1 P42892 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
SCHEMBL25185787 1.00 CTRB1 (0.51) CTRB1ITGB3ITGA2BTACR1TYR
SCHEMBL5561950 0.87 SYK (0.49) CTRB1TACR1CTSKCTSLCTSB
SCHEMBL25185707 0.85 PPARA (0.51) CTRB1ITGB3ITGA2BTACR1TYR
SCHEMBL7372270 0.81 TACR1 (0.68) CTRB1ITGB3ITGA2BTACR1TYR
SCHEMBL479010 0.81 TACR1 (0.68) CTRB1ITGB3ITGA2BTACR1TYR
SCHEMBL26661077 0.81 TACR1 (0.68) CTRB1ITGB3ITGA2BTACR1TYR
SCHEMBL220648 0.81 TACR1 (0.68) CTRB1ITGB3ITGA2BTACR1TYR
SCHEMBL219151 0.81 TACR1 (0.68) CTRB1ITGB3ITGA2BTACR1TYR
SCHEMBL9544107 0.80 CTRB1 (0.67) CTRB1ITGB3ITGA2BTACR1CTSK
SCHEMBL2416694 0.80 CTRB1 (0.67) CTRB1ITGB3ITGA2BTACR1CTSK

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 CTRB1 1069/4885ITGB3 5/4885ITGA2B 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.