SCHEMBL3481265

SCHEMBL3481265

Cc1ccc(Oc2nc3cc(-c4ccc(C(C)(C)O)cc4)c(Cl)cc3[nH]2)cc1C(=O)O

nearest known ligand 0.80

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 20/20 0.80
PRKAB1 Q9Y478 20/20 0.80
PRKAA2 P54646 16/20 0.80
PRKAA1 Q13131 13/20 0.80
PRKAB2 O43741 7/20 0.80
PRKAG3 Q9UGI9 7/20 0.80
PRKAG2 Q9UGJ0 7/20 0.80
TFDP2 Q14188 1/20 0.80

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
SCHEMBL13385311 0.93 PRKAG1 (0.80) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13403011 0.91 PRKAG1 (0.80) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481055 0.90 PRKAG1 (0.76) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481381 0.90 PRKAG1 (0.65) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
Ammonia Solution, Strong SCHEMBL3481579 0.90 PRKAG1 (0.78) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13437486 0.90 PRKAG1 (0.87) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13437415 0.90 PRKAG1 (0.87) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
Trifluoroacetic Acid SCHEMBL3481167 0.89 PRKAG1 (0.73) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3036566 0.89 PRKAG1 (1.00) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13437492 0.89 PRKAG1 (0.85) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2

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 71 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
WO-2011019538-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2011-02-17 WO disclosed
WO-2010108268-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-09-30 WO disclosed
WO-2010094126-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-08-26 WO 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
WO-2010037225-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-04-08 WO disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 US disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 US disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 US disclosed
WO-2010036613-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2010-04-01 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 PRKAG1 2/4885PRKAB1 5/4885PRKAA2 12/4885
US-20160137622-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 PRKAG1 3757/4885PRKAB1 3898/4885PRKAA2 3288/4885

“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.