SCHEMBL7163786

SCHEMBL7163786

CC(C)(OC(=O)N[C@@H](Cc1ccc2c(c1)NC(=O)[C@@H](CCC(=O)Nc1ncc[nH]1)O2)C(=O)O)C(Cl)(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.36
ITGAV P06756 2/20 0.36
ACE P12821 2/20 0.34
HSD17B10 Q99714 2/20 0.34
PTPN1 P18031 1/20 0.34
ITGA2B P08514 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IDO1 P14902 1/20 0.33
TSHR P16473 3/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
CCKAR P32238 1/20 0.32
CCKBR P32239 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL7163504 0.93 ACE (0.41) ITGB3ITGAVACEHSD17B10PTPN1
SCHEMBL7163716 0.93 ACE (0.41) ITGB3ITGAVACEHSD17B10PTPN1
SCHEMBL8327726 0.90 ITGB3 (0.39) ITGB3ITGAVHSD17B10ITGA2BTP53
SCHEMBL3046224 0.90 ITGB3 (0.39) ITGB3ITGAVHSD17B10ITGA2BTP53
SCHEMBL4687097 0.90 ITGB3 (0.39) ITGB3ITGAVHSD17B10ITGA2BTP53
SCHEMBL1378559 0.90 ITGB3 (0.39) ITGB3ITGAVHSD17B10ITGA2BTP53
SCHEMBL7167762 0.88 ITGB3 (0.37) ITGB3ITGAVHSD17B10ITGA2BTP53
SCHEMBL7165621 0.87 ITGB3 (0.39) ITGB3ITGAVHSD17B10ITGA2BTP53
SCHEMBL7164260 0.86 TSHR (0.42) ITGB3ITGAVACEHSD17B10PTPN1
SCHEMBL4850590 0.85 CCKAR (0.35) ITGB3ITGAVHSD17B10TP53POLB

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 15/4885ACE 3019/4885

“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.