SCHEMBL7168903

SCHEMBL7168903

N=C(N)NCCC[C@H]1Oc2ccc(C[C@H](NS(=O)(=O)c3ccccc3)C(=O)O)cc2NC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.43
ITGA2B P08514 7/20 0.43
MMP2 P08253 7/20 0.40
MMP9 P14780 5/20 0.40
ADAMTS4 O75173 1/20 0.40
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
ITGB5 P18084 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37

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
SCHEMBL7165236 0.90 ITGB3 (0.44) ITGB3ITGA2BITGAVL3MBTL1ALOX15
SCHEMBL7163795 0.89 F10 (0.41) ITGB3ITGA2BITGB1ITGAV
SCHEMBL7168938 0.88 ITGB3 (0.44) ITGB3ITGA2BMMP2MMP9ADAMTS4
SCHEMBL7163892 0.88 HSD17B10 (0.39) ITGB3ITGAVL3MBTL1ALOX15MAPK1
SCHEMBL7164959 0.87 MMP2 (0.51) ITGB3ITGA2BMMP2MMP9ADAMTS4
SCHEMBL7160807 0.86 ITGB3 (0.46) ITGB3ITGA2BITGAVL3MBTL1ALOX15
SCHEMBL13191086 0.86 ITGB3 (0.46) ITGB3ITGA2BITGAVL3MBTL1ALOX15
SCHEMBL7163641 0.83 IDO1 (0.45) ITGB3ITGA2BITGAV
SCHEMBL7476728 0.83 ALDH1A1 (0.49) ITGB3ITGAVMAPK1HSD17B10ALDH1A1
SCHEMBL7165857 0.83 MMP2 (0.47) ITGB3ITGA2BMMP2MMP9ADAMTS4

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 5/4885ITGA2B 14/4885MMP2 1203/4885

“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.