SCHEMBL2231865

SCHEMBL2231865

CC(C)(C)OC(=O)NC(C(=O)O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
GRN P28799 4/20 0.44
SORT1 Q99523 4/20 0.44
S1PR3 Q99500 2/20 0.43
PPARA Q07869 3/20 0.42
PPARG P37231 2/20 0.42
TRPA1 O75762 1/20 0.40
CTSL P07711 1/20 0.40
ACE P12821 1/20 0.39
APP P05067 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRB2 P47870 1/20 0.38
ATM Q13315 1/20 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
SCHEMBL10154463 0.92 CTSS (0.41) CTSSCTSKGRNSORT1S1PR3
SCHEMBL12326576 0.90 CTSS (0.41) CTSSCTSKGRNSORT1S1PR3
SCHEMBL14551911 0.90 S1PR3 (0.44) CTSSCTSKGRNSORT1S1PR3
SCHEMBL14668650 0.87 CTSL (0.42) CTSSCTSKGRNSORT1S1PR3
SCHEMBL5576749 0.86 S1PR3 (0.55) CTSSCTSKS1PR3PPARAPPARG
SCHEMBL219211 0.86 S1PR3 (0.55) CTSSCTSKS1PR3PPARAPPARG
SCHEMBL30370359 0.86 S1PR3 (0.55) CTSSCTSKS1PR3PPARAPPARG
SCHEMBL26148553 0.86 S1PR3 (0.55) CTSSCTSKS1PR3PPARAPPARG
SCHEMBL4277192 0.85 S1PR3 (0.53) CTSSCTSKS1PR3PPARAPPARG
SCHEMBL4289099 0.85 S1PR3 (0.53) CTSSCTSKS1PR3PPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016029146-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON (US) 2016-02-25 WO claimed
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase UNIVERSITY OF WASHINGTON (US) 2021-02-09 US disclosed
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON 2017-09-28 US disclosed
EP-2350020-B1 SPIRO-IMIDAZOLONE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-08-13 EP disclosed
EP-2350020-B1 SPIRO-IMIDAZOLONE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-08-13 EP disclosed
US-8633231-B2 Substituted imidazolones, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2014-01-21 US disclosed
US-8633231-B2 Substituted imidazolones, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2014-01-21 US disclosed
US-20130123315-A1 SUBSTITUTED IMIDAZOLONES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2013-05-16 US disclosed
US-20130123315-A1 SUBSTITUTED IMIDAZOLONES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2013-05-16 US disclosed
US-8361959-B2 Spiro-imidazolone derivatives as glucagon receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-29 US disclosed
US-20130012434-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME CORP. 2013-01-10 US disclosed
US-20130012434-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME CORP. 2013-01-10 US disclosed
US-20130012434-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME CORP. 2013-01-10 US disclosed
WO-2012009226-A1 SUBSTITUTED IMIDAZOLONES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed
WO-2011119559-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE SCHERING CORPORATION (US) 2011-09-29 WO disclosed
EP-2350020-A1 SPIRO-IMIDAZOLONE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS Schering Corporation (US) 2011-08-03 EP disclosed
US-20110178007-A1 SPIRO-IMIDAZOLONE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS SCHERING CORPORATION 2011-07-21 US disclosed
US-20110178007-A1 SPIRO-IMIDAZOLONE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS SCHERING CORPORATION 2011-07-21 US disclosed
WO-2010039789-A1 SPIRO-IMIDAZOLONE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2010-04-08 WO disclosed
WO-2010039789-A1 SPIRO-IMIDAZOLONE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2010-04-08 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-20130123315-A1 SUBSTITUTED IMIDAZOLONES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE UGT2B7, CYP3A43, UGT1A7 CTSS 1465/4885CTSK 686/4885GRN 1954/4885
US-20170275279-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE AARS1, MTR, GARS1 CTSS 1356/4885CTSK 3981/4885GRN 3887/4885
US-20130012434-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE GLP1R, GCGR, GIPR CTSS 3908/4885CTSK 2891/4885GRN 3425/4885
US-10913736-B2 Specific inhibitors of methionyl-tRNA synthetase AARS1, MTR, GARS1 CTSS 1356/4885CTSK 3981/4885GRN 3887/4885
US-20110178007-A1 SPIRO-IMIDAZOLONE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS GLP1R, GCGR, GIPR CTSS 4045/4885CTSK 2341/4885GRN 2806/4885

“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.