SCHEMBL245523

SCHEMBL245523

CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2c(c1)CN(C)C(=O)[C@H](CC(=O)O)N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 1.00
ITGAV P06756 20/20 1.00
ITGA2B P08514 1/20 1.00

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
SCHEMBL6946521 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL31321063 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL8330074 0.93 ITGB3 (0.87) ITGB3ITGAVITGA2B
SCHEMBL8325096 0.93 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL8327554 0.92 ITGB3 (0.85) ITGB3ITGAVITGA2B
SCHEMBL13936150 0.92 ITGB3 (0.85) ITGB3ITGAVITGA2B
SCHEMBL7918275 0.91 ITGB3 (0.92) ITGB3ITGAVITGA2B
SCHEMBL7074204 0.89 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7072095 0.89 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7365226 0.89 ITGB3 (0.80) 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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435967-A2 METHODS FOR PREVENTING AND TREATING BONE LOSS WITH STEROID COMPOUNDS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
US-20040082557-A1 Methods for treating estrogen-dependent disorders PHARMACIA ITALIA S.P.A. (IT) 2004-04-29 US claimed
US-6689787-B1 POTENTIATING TUMOR RESPONSE G. D. SEARLE & CO. 2004-02-10 US claimed
US-20040024044-A1 Exemestane as chemopreventing agent PHARMACIA ITALIA S.P.A. (IT) 2004-02-05 US claimed
EP-1377298-A2 COMBINED METHOD FOR TREATING HORMONO-DEPENDENT DISORDERS Pharmacia Italia S.p.A. (IT) 2004-01-07 EP claimed
EP-0946180-A4 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP claimed
EP-1317270-A1 EXEMESTANE FOR THE TREATMENT OF OESTROGEN-DEPENDENT CANCERS Pharmacia Italia S.p.A. (IT) 2003-06-11 EP claimed
WO-2003032961-A2 METHODS FOR PREVENTING AND TREATING BONE LOSS WITH STEROID COMPOUNDS PHARMACIA ITALIA SPA (IT) 2003-04-24 WO claimed
WO-2002072106-A2 COMBINED METHOD FOR TREATING HORMONO-DEPENDENT DISORDERS WITH EXEMESTANE PHARMACIA ITALIA SPA (IT) 2002-09-19 WO claimed
WO-2002020020-A1 EXEMESTANE AS CHEMOPREVENTING AGENT PHARMACIA ITALIA S.P.A. (IT) 2002-03-14 WO claimed
EP-1140177-A2 USE OF AN INTEGRIN ANTAGONIST AND RADIATION IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2001-10-10 EP claimed
WO-2000038665-A2 USE OF AN INTEGRIN ANTAGONIST AND ONE OR MORE ANTINEOPLASTIC AGENTS AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO claimed
WO-2000038719-A1 USE OF A MATRIX METALLOPROTEINASE INHIBITOR AND AN INTEGRIN ANTAGONIST IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO claimed
WO-2000038715-A2 USE OF AN INTEGRIN ANTAGONIST AND RADIATION IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO claimed
WO-2000038786-A2 USE OF CYCLOOXYGENASE 2 INHIBITOR AND AN INTEGRIN ANTAGONIST AS A COMBINATION THERAPY IN THE TREATMENT OF NEOPLASIA G.D. SEARLE & CO. (US) 2000-07-06 WO claimed
EP-0946180-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1999-10-06 EP claimed
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP claimed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP claimed
WO-1998015278-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1998-04-16 WO claimed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO claimed

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-20040082557-A1 Methods for treating estrogen-dependent disorders CYP19A1, BRCA1, ESR2 ITGB3 918/4885ITGAV 2117/4885ITGA2B 1347/4885

“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.