SCHEMBL7160779

SCHEMBL7160779

Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](Cc2ccc3c(c2)NC(=O)[C@@H](CCC(=O)Nc2ncc[nH]2)O3)C(=O)O)c1C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.45
ITGAV P06756 10/20 0.45
ITGA2B P08514 8/20 0.45
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA5 P08648 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
SCHEMBL7479025 0.93 ITGB3 (0.39) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL7159632 0.88 ITGB3 (0.40) ITGB3ITGAVITGA2BITGB1
SCHEMBL7168844 0.87 ITGAV (0.45) ITGB3ITGAVSMN1; SMN2HSD17B10ITGB1
SCHEMBL8321280 0.86 ITGB3 (0.37) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL8319824 0.85 ITGAV (0.40) ITGB3ITGAVITGA2BTSHRMAPT
SCHEMBL7165010 0.85 ITGB3 (0.41) ITGB3ITGAVITGA2BTSHRHSD17B10
SCHEMBL7163713 0.85 ITGB3 (0.40) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL7368163 0.84 BACE1 (0.39) ITGB3ITGAVITGA2BTSHRMAPT
SCHEMBL7159817 0.84 ITGB3 (0.45) ITGB3ITGAVITGA2BITGB1
SCHEMBL7167733 0.83 TSHR (0.49) MEN1KMT2ATSHRTP53POLB

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 5/4885ITGAV 15/4885ITGA2B 14/4885

“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.