SCHEMBL1661515

SCHEMBL1661515

CCNS(=O)(=O)CC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
CETP P11597 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL12654241 0.77 ALDH1A1 (0.35) ALDH1A1
SCHEMBL15226205 0.77 CETP (0.38) CETP
SCHEMBL27339152 0.76 CETP (0.35) CETP
SCHEMBL10309464 0.75 PGR (0.33)
SCHEMBL28574756 0.75 PGR (0.31)
SCHEMBL8213784 0.74 PGR (0.31)
SCHEMBL244234 0.73 PGR (0.33)
SCHEMBL779252 0.72
SCHEMBL13104023 0.72 ALDH1A1 (0.41) ALDH1A1
SCHEMBL28569774 0.71 ATR (0.32) CETPALDH1A1

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
US-8455522-B2 Benzoxazolone derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-06-04 US disclosed
US-8334378-B2 Thiazolyl-dihydro-quinazoline compounds and processes for preparing same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-18 US disclosed
EP-2488031-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-08-22 EP disclosed
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 US disclosed
US-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
WO-2011046774-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-04-21 WO disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-20100145041-A1 Thiazolyl-dihydro-quinazoline compounds and processes for preparing same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 US disclosed
US-7691868-B2 N-{8-[2-chloro-5-(3-methylamino-prop-1-ynyl)-phenyl]-4,5-dihydro-thiazolo[4,5-h]quinazolin-2-yl}-acetamide; PI3-kinase modulators for the treatment of inflammatory or allergic diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-06 US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US disclosed
US-20070244104-A1 THIAZOLYL-DIHYDRO-QUINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 US disclosed
WO-2007084319-A2 DIARYL PIPERIDINES AS CB1 MODULATORS SCHERING CORPORATION (US) 2007-07-26 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 (5 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 EPHX1 976/4885CETP 3273/4885ALDH1A1 1966/4885
US-20100145041-A1 Thiazolyl-dihydro-quinazoline compounds and processes for preparing same QDPR, NQO2, DHPS EPHX1 1722/4885CETP 1789/4885ALDH1A1 815/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 EPHX1 976/4885CETP 3273/4885ALDH1A1 1966/4885
US-20070244104-A1 THIAZOLYL-DIHYDRO-QUINAZOLINE QDPR, NQO2, CYP3A4 EPHX1 2458/4885CETP 1911/4885ALDH1A1 726/4885
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP11B2, CYP11B1, CYP21A2 EPHX1 137/4885CETP 1890/4885ALDH1A1 178/4885

“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.