SCHEMBL7165236

SCHEMBL7165236

N=C(N)NCCC[C@H]1Oc2ccc(C[C@H](NS(=O)(=O)Cc3ccccc3)C(=O)O)cc2NC1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.44
ITGA2B P08514 4/20 0.44
ITGAV P06756 1/20 0.41
HSD17B10 Q99714 3/20 0.39
ALOX15 P16050 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
TMPRSS11D O60235 3/20 0.36
PARP1 P09874 1/20 0.36
USP2 O75604 1/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL7168903 0.90 ITGB3 (0.43) ITGB3ITGA2BITGAVHSD17B10ALOX15
SCHEMBL7166473 0.88 ITGB3 (0.55) ITGB3ITGA2BITGAVHSD17B10ALOX15
SCHEMBL13191086 0.88 ITGB3 (0.46) ITGB3ITGA2BITGAVHSD17B10ALOX15
SCHEMBL7160807 0.88 ITGB3 (0.46) ITGB3ITGA2BITGAVHSD17B10ALOX15
SCHEMBL7163731 0.88 ITGB3 (0.43) ITGB3ITGA2BITGAVHSD17B10ALOX15
SCHEMBL7163795 0.86 F10 (0.41) ITGB3ITGA2BITGAV
SCHEMBL7163641 0.84 IDO1 (0.45) ITGB3ITGA2BITGAV
SCHEMBL7163892 0.84 HSD17B10 (0.39) ITGB3ITGAVHSD17B10ALOX15L3MBTL1
SCHEMBL7169150 0.83 ITGB3 (0.46) ITGB3ITGA2BITGAVHSD17B10ALOX15
SCHEMBL7596101 0.82 GAA (0.39) HSD17B10ALOX15L3MBTL1MAPK1HTT

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 3 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

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 14/4885ITGAV 15/4885

“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.