SCHEMBL7163531

SCHEMBL7163531

O=C(CC1Oc2ccc(C[C@H](NS(=O)(=O)c3ccccc3)C(=O)O)cc2NC1=O)NCc1nc2ccccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.44
ITGAV P06756 5/20 0.44
TP53 P04637 2/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 2/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
PIN1 Q13526 2/20 0.40
ITGA2B P08514 1/20 0.40
MAPK1 P28482 2/20 0.39
ADAMTS4 O75173 1/20 0.39
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7168998 0.95 SMN1; SMN2 (0.49) ITGB3ITGAVTP53USP2POLB
SCHEMBL7167847 0.94 ITGB3 (0.42) ITGB3ITGAVTP53USP2POLB
SCHEMBL7473898 0.93 ITGB3 (0.43) ITGB3ITGAVTP53USP2POLB
SCHEMBL7165487 0.91 HSD17B10 (0.43) ITGB3ITGAVTP53USP2POLB
SCHEMBL7374002 0.88 SMN1; SMN2 (0.45) ITGB3ITGAVTP53USP2POLB
SCHEMBL7161068 0.88 ITGB3 (0.54) ITGB3ITGAVSMN1; SMN2HSD17B10TSHR
SCHEMBL7163826 0.88 TP53 (0.41) ITGB3ITGAVTP53USP2POLB
SCHEMBL7164294 0.88 TP53 (0.42) ITGB3ITGAVTP53USP2POLB
SCHEMBL7472561 0.87 ITGB3 (0.41) ITGB3ITGAVTP53USP2POLB
SCHEMBL7165950 0.86 TP53 (0.47) ITGB3ITGAVTP53USP2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6559144-B2 Integrin inhibitors used to treat circulatory disorders, for thrombosis, myocardial infarct, coronary heart disease, arteriosclerosis, osteoporosis, pathological processes maintained or propagated by angiogenesis and tumor therapy MERCK PATENT GESELLSCHAFT MIT (DE) 2003-05-06 US disclosed
EP-0964856-B1 BICYCLIC AMINO ACIDS MERCK PATENT GMBH (DE) 2002-10-09 EP disclosed
US-20010021709-A1 Bicyclic amino acids MERCK PATENT GESELLSCHAFT MIT BESCHRANKT PATENTS (DE) 2001-09-13 US disclosed
EP-0964856-A1 BICYCLIC AMINO ACIDS MERCK PATENT GmbH (DE) 1999-12-22 EP disclosed
WO-1998035949-A1 BICYCLIC AMINO ACIDS MERCK PATENT GMBH (DE) 1998-08-20 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 (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-20010021709-A1 Bicyclic amino acids ITGA1, ITGB1, ITGB2 ITGB3 5/4885ITGAV 15/4885TP53 2586/4885

“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.