SCHEMBL981045

SCHEMBL981045

COC(=O)CC1Cc2ccc(O)cc2CN(CC(F)(F)F)C1=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.50
ITGAV P06756 4/20 0.50
ITGA2B P08514 3/20 0.50
ABHD6 Q9BV23 1/20 0.37
CALCRL Q16602 9/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 1/20 0.36
CYP3A4 P08684 1/20 0.36
MMP8 P22894 2/20 0.36
MMP3 P08254 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MIF P14174 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
SCHEMBL4671293 1.00 ITGB3 (0.50) ITGB3ITGAVITGA2BABHD6CALCRL
SCHEMBL12948918 1.00 ITGB3 (0.50) ITGB3ITGAVITGA2BABHD6CALCRL
SCHEMBL13688296 1.00 ITGB3 (0.50) ITGB3ITGAVITGA2BABHD6CALCRL
SCHEMBL538078 0.90 ITGB3 (0.47) ITGB3ITGAVITGA2BABHD6CALCRL
SCHEMBL538357 0.90 ITGB3 (0.47) ITGB3ITGAVITGA2BABHD6CALCRL
SCHEMBL4671880 0.88 ITGB3 (0.56) ITGB3ITGAVITGA2BABHD6MMP8
SCHEMBL4671875 0.88 ITGB3 (0.56) ITGB3ITGAVITGA2BABHD6MMP8
SCHEMBL6418802 0.87 ITGB3 (0.56) ITGB3ITGAVITGA2BABHD6CALCRL
SCHEMBL981119 0.87 ITGB3 (0.56) ITGB3ITGAVITGA2BABHD6CALCRL
SCHEMBL12922965 0.87 MMP8 (0.38) ITGB3ITGAVITGA2BOPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628949-A4 PROCESS AND INTERMEDIATES FOR PREPARING BENZAZEPINES SMITHKLINE BEECHAM CORP (US) 2008-07-02 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
WO-2004089890-A2 PROCESS AND INTERMEDIATES FOR PREPARING BENZAZEPINES SMITHKLINE BEECHAM CORPORATION (US) 2004-10-21 WO claimed
EP-2257538-B1 Process for the preparation of benzodiazepine derivatives GLAXOSMITHKLINE LLC (US) 2016-04-27 EP disclosed
EP-2257538-B1 Process for the preparation of benzodiazepine derivatives GLAXOSMITHKLINE LLC (US) 2016-04-27 EP disclosed
US-8076475-B2 Process GLAXOSMITHKLINE LLC (US) 2011-12-13 US disclosed
US-8076475-B2 Process GLAXOSMITHKLINE LLC (US) 2011-12-13 US disclosed
US-8076475-B2 Process GLAXOSMITHKLINE LLC (US) 2011-12-13 US disclosed
US-20110015390-A1 PROCESS GLAXOSMITHKLINE LLC 2011-01-20 US disclosed
US-20110015390-A1 PROCESS GLAXOSMITHKLINE LLC 2011-01-20 US disclosed
EP-0957917-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-12-07 EP disclosed
US-6825188-B2 MORE POTENT INHIBITORS OF THE VITRONECTIN RECEPTOR THAN THE FIBRINOGEN SMITHKLINE BEECHAM CORPORATION 2004-11-30 US disclosed
WO-2004089890-A2 PROCESS AND INTERMEDIATES FOR PREPARING BENZAZEPINES SMITHKLINE BEECHAM CORPORATION (US) 2004-10-21 WO disclosed
US-20040082559-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2004-04-29 US disclosed
US-20030125317-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2003-07-03 US disclosed
EP-0957917-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-05-15 EP disclosed
EP-0957917-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-24 EP disclosed
WO-1998014192-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-04-09 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 (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-20110015390-A1 PROCESS PTAFR, HCAR2, GPR142 ITGB3 173/4885ITGAV 200/4885ITGA2B 182/4885
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.