SCHEMBL670923

SCHEMBL670923

COc1cccc(C(=O)c2c(C)n(-c3cccc(OC(C)(C)C(=O)O)c3)c3cc(OC(F)(F)F)ccc23)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.65
PPARA Q07869 7/20 0.51
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
PPARD Q03181 1/20 0.43
CYP2C9 P11712 1/20 0.43
EGFR P00533 1/20 0.43
CHRM4 P08173 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRA2A P08913 1/20 0.43
ALOX5 P09917 1/20 0.43
ADRB3 P13945 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
CHRM3 P20309 1/20 0.43
TACR2 P21452 1/20 0.43
DRD1 P21728 1/20 0.43
TBXA2R P21731 1/20 0.43
SLC6A2 P23975 1/20 0.43

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
SCHEMBL670922 0.94 PPARG (0.73) PPARGPPARAKDM4EPPARDCYP2C9
SCHEMBL2898984 0.90 PPARG (0.57) PPARGPPARAPPARDCYP2C9EGFR
SCHEMBL5111563 0.87 PPARG (0.70) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL5119422 0.87 PPARG (0.70) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL2898983 0.87 PPARG (0.62) PPARGPPARAPPARDCYP2C9EGFR
SCHEMBL14574006 0.86 PPARG (0.71) PPARGPPARAMAPTHTTCYP2C9
SCHEMBL530540 0.85 PPARG (0.89) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL2599627 0.85 PPARG (0.89) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL671320 0.85 PPARG (0.89) PPARGPPARACYP2C9EGFRCHRM4
SCHEMBL2896314 0.84 PPARG (0.54) PPARGPPARACYP2C9EGFRCHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464228-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2017-12-06 EP disclosed
EP-2676961-B1 Combination drugs comprising aminotetrahydropyrans as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME (US) 2017-04-19 EP disclosed
EP-2676960-B1 Combination drugs comprising aminotetrahydropyrans as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME (US) 2017-04-19 EP disclosed
EP-2760855-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AS WELL AS THEIR USE IN TREATING TYPE-2 DIABETES MERCK SHARP & DOHME (US) 2017-03-15 EP disclosed
EP-2571876-B1 SUBSTITUTED SEVEN-MEMBERED HETEROCYCLIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME (US) 2016-09-07 EP disclosed
US-9422266-B2 Substituted cyclopropyl compounds, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2016-08-23 US disclosed
EP-2680851-B1 FUSED BICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS MERCK SHARP & DOHME (US) 2016-08-17 EP disclosed
US-9403790-B2 Aminotetrahydropyrans as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2016-08-02 US disclosed
EP-2538783-B1 SUBSTITUTED AMINOTETRAHYDROTHIOPYRANS AND DERIVATIVES THEREOF AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME (US) 2016-06-01 EP disclosed
US-20160137622-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME LLC 2016-05-19 US disclosed
US-20110003849-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. 2011-01-06 US disclosed
US-20100197691-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME LLC 2010-08-05 US disclosed
US-20100120863-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME LLC 2010-05-13 US disclosed
EP-2178534-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck Sharp & Dohme Corp. (US) 2010-04-28 EP disclosed
WO-2010043052-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-04-22 WO disclosed
EP-1537078-B1 INDOLES HAVING ANTI-DIABETIC ACTIVITY MERCK SHARP & DOHME (US) 2010-04-14 EP disclosed
WO-2010025553-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-03-11 WO disclosed
WO-2009011872-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2009-01-22 WO disclosed
US-7345085-B2 Indoles having anti-diabetic activity MERCK & CO., INC. (US) 2008-03-18 US disclosed
US-20070161689-A1 Indoles having anti-diabetic activity MERCK SHARP & DOHME LLC 2007-07-12 US 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-20100120863-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 PPARG 2638/4885PPARA 2222/4885KDM4E 1248/4885
US-20100197691-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT EPHX1, EPHX2, PTGIS PPARG 732/4885PPARA 1029/4885KDM4E 3299/4885
US-20110003849-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT EPHX1, EPHX2, PTGIS PPARG 610/4885PPARA 888/4885KDM4E 3239/4885
US-20070161689-A1 Indoles having anti-diabetic activity GPR119, PPARA, PPARG PPARG 3/4885PPARA 2/4885KDM4E 2186/4885
US-20160137622-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 PPARG 2638/4885PPARA 2222/4885KDM4E 1248/4885

“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.