SCHEMBL981179

SCHEMBL981179

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

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.56
ITGA2B P08514 12/20 0.56
ITGAV P06756 5/20 0.56
OPRM1 P35372 2/20 0.39
OPRK1 P41145 2/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ABHD6 Q9BV23 1/20 0.37
CALCRL Q16602 3/20 0.36

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
SCHEMBL6418802 1.00 ITGB3 (0.56) ITGB3ITGA2BITGAVOPRM1OPRK1
SCHEMBL12922956 1.00 ITGB3 (0.56) ITGB3ITGA2BITGAVOPRM1OPRK1
SCHEMBL981119 1.00 ITGB3 (0.56) ITGB3ITGA2BITGAVOPRM1OPRK1
SCHEMBL13688296 0.87 ITGB3 (0.50) ITGB3ITGA2BITGAVOPRM1ESR1
SCHEMBL4671293 0.87 ITGB3 (0.50) ITGB3ITGA2BITGAVOPRM1ESR1
SCHEMBL12948918 0.87 ITGB3 (0.50) ITGB3ITGA2BITGAVOPRM1ESR1
SCHEMBL981045 0.87 ITGB3 (0.50) ITGB3ITGA2BITGAVOPRM1ESR1
SCHEMBL14212731 0.86 ITGB3 (0.43) ITGB3ITGA2BITGAVOPRM1OPRK1
SCHEMBL14182026 0.86 ITGB3 (0.44) ITGB3ITGA2BITGAVOPRM1OPRK1
SCHEMBL14182030 0.86 ITGB3 (0.44) ITGB3ITGA2BITGAVOPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2257538-A2 PROCESS GlaxoSmithKline LLC (US) 2010-12-08 EP disclosed
EP-2221308-A1 BENZAZEPINONE COMPOUND Ube Industries, Ltd. (JP) 2010-08-25 EP disclosed
WO-2009111679-A2 PROCESS SMITHKLINE BEECHAM CORPORATION (US) 2009-09-11 WO 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
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 (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-20040082559-A1 Vitronectin receptor antagonists VCAM1, GPR174, ADGRF1 ITGB3 131/4885ITGA2B 191/4885ITGAV 302/4885
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.