SCHEMBL244675

SCHEMBL244675

CNc1cccc(CCOc2ccc3c(c2)CN(CC(F)(F)F)C(=O)[C@H](CC(=O)O)C3)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 1.00
ITGAV P06756 20/20 1.00
ITGA2B P08514 6/20 1.00
ITGB6 P18564 1/20 0.51
ITGB1 P05556 9/20 0.47
ITGA5 P08648 8/20 0.47
ITGB5 P18084 4/20 0.47

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
SCHEMBL29899937 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL538331 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL29571589 1.00 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL14182037 0.93 ITGB3 (0.87) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL14182014 0.90 ITGB3 (0.82) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL14212733 0.90 ITGB3 (0.81) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL14212735 0.90 ITGB3 (0.81) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL14212732 0.90 ITGB3 (0.81) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL6418750 0.88 ITGB3 (0.79) ITGB3ITGAVITGA2BITGB6ITGB1
SCHEMBL6419002 0.88 ITGB3 (0.79) ITGB3ITGAVITGA2BITGB6ITGB1

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385504-B1 METHOD OF INHIBITING ADHESION FORMATION SMITHKLINE BEECHAM CORP (US) 2008-12-17 EP claimed
EP-1628949-A4 PROCESS AND INTERMEDIATES FOR PREPARING BENZAZEPINES SMITHKLINE BEECHAM CORP (US) 2008-07-02 EP claimed
US-20070149505-A1 Method of Inhibiting Adhesion Formation SMITHKLINE BEECHAM CORPORATION 2007-06-28 US claimed
EP-1385504-A4 METHOD OF INHIBITING ADHESION FORMATION SMITHKLINE BEECHAM CORP (US) 2007-03-14 EP claimed
JP-2006522139-A 2006-09-28 JP claimed
US-20060194786-A1 Process and intermediates for preparing benzazepines SMITHKLINE BEECHAM CORPORATION 2006-08-31 US claimed
EP-1628949-A2 PROCESS AND INTERMEDIATES FOR PREPARING BENZAZEPINES SMITHKLINE BEECHAM CORPORATION (US) 2006-03-01 EP claimed
EP-0957917-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-12-07 EP claimed
US-6825188-B2 MORE POTENT INHIBITORS OF THE VITRONECTIN RECEPTOR THAN THE FIBRINOGEN SMITHKLINE BEECHAM CORPORATION 2004-11-30 US claimed
WO-2004089890-A2 PROCESS AND INTERMEDIATES FOR PREPARING BENZAZEPINES SMITHKLINE BEECHAM CORPORATION (US) 2004-10-21 WO claimed
US-20040082559-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2004-04-29 US claimed
EP-1385504-A1 METHOD OF INHIBITING ADHESION FORMATION SmithKline Beecham Corporation (US) 2004-02-04 EP claimed
US-20030125317-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-07-03 US claimed
EP-1208101-A4 VITRONECTIN RECEPTOR ANTAGONISTS USEFUL FOR THE TREATMENT OF STROKES SMITHKLINE BEECHAM CORP (US) 2003-03-19 EP claimed
WO-2002083125-A1 METHOD OF INHIBITING ADHESION FORMATION SMITHKLINE BEECHAM CORPORATION (US) 2002-10-24 WO claimed
EP-1208101-A1 VITRONECTIN RECEPTOR ANTAGONISTS USEFUL FOR THE TREATMENT OF STROKES SmithKline Beecham Corporation (US) 2002-05-29 EP claimed
EP-0957917-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-05-15 EP claimed
WO-2001010867-A1 VITRONECTIN RECEPTOR ANTAGONISTS USEFUL FOR THE TREATMENT OF STROKES SMITHKLINE BEECHAM CORPORATION (US) 2001-02-15 WO claimed
EP-0957917-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-24 EP claimed
WO-1998014192-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-04-09 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 (4 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-20060194786-A1 Process and intermediates for preparing benzazepines CYP2E1, CYP1B1, CYP3A4 ITGB3 3249/4885ITGAV 2835/4885ITGA2B 1734/4885
US-20040082559-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 ITGB3 131/4885ITGAV 302/4885ITGA2B 191/4885
US-20070149505-A1 Method of Inhibiting Adhesion Formation VCAM1, EPCAM, ADGRF1 ITGB3 15/4885ITGAV 29/4885ITGA2B 17/4885
US-20030125317-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 ITGB3 131/4885ITGAV 302/4885ITGA2B 191/4885

“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.