SCHEMBL4024909

SCHEMBL4024909

COC(=O)C[C@@H]1Nc2ccc(C(=O)O)cc2CN(C)C1=O

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.57
ITGAV P06756 15/20 0.57
ITGA2B P08514 12/20 0.56

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
SCHEMBL4023860 1.00 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL5155928 1.00 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL6677340 0.89 ITGB3 (0.68) ITGB3ITGAVITGA2B
SCHEMBL6677335 0.89 ITGB3 (0.68) ITGB3ITGAVITGA2B
SCHEMBL5972553 0.89 ITGB3 (0.68) ITGB3ITGAVITGA2B
SCHEMBL7668371 0.86 ITGB3 (0.58) ITGB3ITGAVITGA2B
SCHEMBL337310 0.86 ITGB3 (0.48) ITGB3ITGAVITGA2B
SCHEMBL8187415 0.86 ITGB3 (0.49) ITGB3ITGAVITGA2B
SCHEMBL7485245 0.86 ITGB3 (0.44) ITGB3ITGAVITGA2B
SCHEMBL8525346 0.85 ITGB3 (0.48) ITGB3ITGAVITGA2B

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171428-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2009-06-17 EP disclosed
EP-1171428-A4 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2004-09-15 EP disclosed
US-6765005-B2 BACTERICIDES; ENZYME INHIBITORS AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-07-20 US disclosed
US-20030139377-A1 Fab I inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-24 US disclosed
US-6503903-B1 Administering 3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carboxamide derivative SMITHKLINE BEECHAM CORPORATION 2003-01-07 US disclosed
US-6495545-B1 ANTIOSTEOPOROTIC, ANTIRESTENOTIC, ANTICARCINOGENIC AND ANTIATHEROSCLEROTIC ACTIVITY BAYER AKTIENGESELLSCHAFT (DE) 2002-12-17 US disclosed
EP-1171428-A1 FAB I INHIBITORS SmithKline Beecham Corporation (US) 2002-01-16 EP disclosed
US-6339083-B1 FOR THERAPY OF OSTEOPOROSIS, RESTENOSIS, CARCINOSES AND/OR ARTERIOSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 2002-01-15 US disclosed
EP-1140927-A1 1,4-BENZODIAZEPINONE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-10 EP disclosed
WO-2000063187-A1 FAB I INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-10-26 WO disclosed
WO-2000035917-A1 1,4-BENZODIAZEPINONE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-06-22 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-20030139377-A1 Fab I inhibitors SERPINB1, TFPI, TFPI2 ITGB3 1680/4885ITGAV 1554/4885ITGA2B 1135/4885

“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.