SCHEMBL5566516

SCHEMBL5566516

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.45
CTSS P25774 4/20 0.45
CTSL P07711 3/20 0.45
CTSB P07858 2/20 0.45
CASP1 P29466 3/20 0.43
HTT P42858 1/20 0.43
CTSK P43235 5/20 0.43
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
ITGAV P06756 1/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL5566427 0.99 SYK (0.45) SYKCTSSCTSLCTSBCASP1
SCHEMBL5561950 0.83 SYK (0.49) SYKCTSSCTSLCTSBCTSK
SCHEMBL7706963 0.82 ITGB3 (0.44) SYKCTSSCTSLCTSBCTSK
SCHEMBL5567560 0.82 ITGB3 (0.61) ITGB3ITGA2BITGAV
SCHEMBL7706968 0.82 ITGB3 (0.44) SYKCTSSCTSLCTSBCTSK
SCHEMBL3425337 0.81 SIRT2 (0.56) SYKCTSSCTSLHTTCTSK
SCHEMBL5561128 0.81 ITGB3 (0.60) ITGB3ITGA2BITGAV
SCHEMBL5567609 0.80 ITGB3 (0.42) CTSSCTSKITGB3ITGA2BITGAV
SCHEMBL19485480 0.80 CTSK (0.62) SYKCTSSCTSLCTSBCTSK
SCHEMBL9219338 0.80 CTSK (0.62) SYKCTSSCTSLCTSBCTSK

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 1469/4885CTSS 1898/4885CTSL 1500/4885

“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.