SCHEMBL981047

SCHEMBL981047

CC1c2cc(O)ccc2CC(CC(=O)O)C(=O)N1CC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.40
ITGA2B P08514 5/20 0.40
ITGAV P06756 4/20 0.40
OPRM1 P35372 6/20 0.38
OPRK1 P41145 6/20 0.38
OPRD1 P41143 4/20 0.37
SIGMAR1 Q99720 1/20 0.34
GPER1 Q99527 1/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL4672395 1.00 ITGB3 (0.40) ITGB3ITGA2BITGAVOPRM1OPRK1
SCHEMBL538358 0.88 ITGB3 (0.39) ITGB3ITGA2BITGAVOPRM1OPRK1
SCHEMBL538079 0.88 ITGB3 (0.39) ITGB3ITGA2BITGAVOPRM1OPRK1
SCHEMBL2045762 0.82 OPRM1 (0.43) ITGB3ITGA2BITGAVOPRM1OPRK1
SCHEMBL2050706 0.82 OPRM1 (0.43) ITGB3ITGA2BITGAVOPRM1OPRK1
SCHEMBL6418802 0.78 ITGB3 (0.56) ITGB3ITGA2BITGAVOPRM1OPRK1
SCHEMBL12922956 0.78 ITGB3 (0.56) ITGB3ITGA2BITGAVOPRM1OPRK1
SCHEMBL981179 0.78 ITGB3 (0.56) ITGB3ITGA2BITGAVOPRM1OPRK1
SCHEMBL981119 0.78 ITGB3 (0.56) ITGB3ITGA2BITGAVOPRM1OPRK1
SCHEMBL2043373 0.75 ITGB3 (0.73) ITGB3ITGA2BITGAV

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 16 patents. 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
US-8076475-B2 Process GLAXOSMITHKLINE LLC (US) 2011-12-13 US disclosed
US-20110015390-A1 PROCESS GLAXOSMITHKLINE LLC 2011-01-20 US disclosed
EP-1628949-A4 PROCESS AND INTERMEDIATES FOR PREPARING BENZAZEPINES SMITHKLINE BEECHAM CORP (US) 2008-07-02 EP disclosed
EP-1628949-A2 PROCESS AND INTERMEDIATES FOR PREPARING BENZAZEPINES SMITHKLINE BEECHAM CORPORATION (US) 2006-03-01 EP disclosed
EP-0957917-B1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-12-07 EP disclosed
WO-2004089890-A2 PROCESS AND INTERMEDIATES FOR PREPARING BENZAZEPINES SMITHKLINE BEECHAM CORPORATION (US) 2004-10-21 WO 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 (3 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 3249/4885ITGA2B 1734/4885ITGAV 2835/4885
US-20110015390-A1 PROCESS PTAFR, HCAR2, GPR142 ITGB3 173/4885ITGA2B 182/4885ITGAV 200/4885
US-20030125317-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 ITGB3 131/4885ITGA2B 191/4885ITGAV 302/4885

“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.