SCHEMBL7160880

SCHEMBL7160880

CC(C)COC(=O)N[C@@H](Cc1ccc2c(c1)NC(=O)[C@@H](CCCN)O2)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.41
ITGAV P06756 1/20 0.41
ITGA2B P08514 8/20 0.40
HSD17B10 Q99714 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CTSL P07711 1/20 0.35
CTSK P43235 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
SCHEMBL7169224 0.90 ITGB3 (0.39) ITGB3ITGAVITGA2BHSD17B10USP2
SCHEMBL7167643 0.89 ITGB3 (0.42) ITGB3ITGAVITGA2BHSD17B10USP2
SCHEMBL7161011 0.89 ITGB3 (0.42) ITGB3ITGAVHSD17B10USP2GAA
SCHEMBL7163742 0.88 ITGB3 (0.54) ITGB3ITGAVITGA2BCTSLCTSK
SCHEMBL7160952 0.87 ITGB3 (0.45) ITGB3ITGAVITGA2BUSP2GAA
SCHEMBL7164999 0.86 IDO1 (0.44) ITGB3ITGAVITGA2BCTSLCTSK
SCHEMBL7165621 0.81 ITGB3 (0.39) ITGB3ITGAVITGA2BHSD17B10USP2
SCHEMBL7163878 0.79 ITGB3 (0.36) ITGB3ITGAVHSD17B10USP2GAA
SCHEMBL7169944 0.79 IDO1 (0.48) ITGB3ITGAVITGA2BCTSLCTSK
SCHEMBL7167819 0.79 USP2 (0.39) ITGB3ITGAVITGA2BHSD17B10USP2

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.