SCHEMBL5561950

SCHEMBL5561950

CC(C)(C)OC(=O)[C@H](Cc1ccc(Br)s1)NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.49
CTSK P43235 5/20 0.47
CTSS P25774 3/20 0.46
CTSL P07711 3/20 0.46
CTSB P07858 2/20 0.46
CTRB1 P17538 2/20 0.46
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
PPARA Q07869 1/20 0.44
TACR1 P25103 2/20 0.44
P2RX7 Q99572 1/20 0.44
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43

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 0.87 CTRB1 (0.51) CTSKCTSSCTSLCTSBCTRB1
SCHEMBL5562292 0.87 CTRB1 (0.51) CTSKCTSSCTSLCTSBCTRB1
SCHEMBL9219338 0.84 CTSK (0.62) SYKCTSKCTSSCTSLCTSB
SCHEMBL19485480 0.84 CTSK (0.62) SYKCTSKCTSSCTSLCTSB
SCHEMBL5566516 0.83 SYK (0.45) SYKCTSKCTSSCTSLCTSB
SCHEMBL6781311 0.83 CTSK (0.58) SYKCTSKCTSSCTSLCTSB
SCHEMBL5887598 0.82 P2RX7 (0.59) SYKCTSKCTSSCTSLCTSB
SCHEMBL5887595 0.82 P2RX7 (0.59) SYKCTSKCTSSCTSLCTSB
SCHEMBL5566427 0.82 SYK (0.45) SYKCTSKCTSSCTSLCTSB
SCHEMBL7455995 0.82 SYK (0.51) SYKCTSKCTSSCTSLCTSB

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 SYK 1469/4885CTSK 2453/4885CTSS 1898/4885

“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.