SCHEMBL4397409

SCHEMBL4397409

CC(C)(C)OC(=O)NC(Cc1ccc(C(F)(F)F)cc1F)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.53
PPARG P37231 6/20 0.53
CTSS P25774 6/20 0.52
CTSK P43235 5/20 0.52
PTPN1 P18031 1/20 0.50
ACE P12821 2/20 0.49
SCN9A Q15858 2/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
PPARD Q03181 3/20 0.42
APP P05067 1/20 0.41

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
SCHEMBL4397406 1.00 PPARA (0.53) PPARAPPARGCTSSCTSKPTPN1
SCHEMBL27203762 0.91 PPARA (0.53) PPARAPPARGCTSSCTSKPTPN1
SCHEMBL27207446 0.91 PPARA (0.53) PPARAPPARGCTSSCTSKPTPN1
SCHEMBL4390584 0.90 CTSS (0.48) PPARAPPARGCTSSCTSKPTPN1
SCHEMBL3856557 0.90 CTSS (0.48) PPARAPPARGCTSSCTSKPTPN1
SCHEMBL4390581 0.90 CTSS (0.48) PPARAPPARGCTSSCTSKPTPN1
SCHEMBL30461851 0.87 CTSS (0.55) PPARAPPARGCTSSCTSKPTPN1
SCHEMBL5318364 0.87 CTSS (0.55) PPARAPPARGCTSSCTSKPTPN1
SCHEMBL5845049 0.87 CTSS (0.55) PPARAPPARGCTSSCTSKPTPN1
SCHEMBL5845045 0.87 CTSS (0.55) PPARAPPARGCTSSCTSKPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105473575-B Benzimidazolyl-methylurea derivatives as ALX receptor agonists 爱杜西亚药品有限公司 2017-11-24 CN disclosed
EP-3030560-B1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2017-06-21 EP disclosed
US-9663473-B2 Benzimidazolyl-methyl urea derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2017-05-30 US disclosed
US-20160200686-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2016-07-14 US disclosed
EP-3030560-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd (CH) 2016-06-15 EP disclosed
WO-2015019325-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-02-12 WO disclosed
EP-1554256-B1 PIPERIDINO PYRIMIDINE DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OF DIABETES MERCK & CO INC (US) 2009-12-09 EP disclosed
US-7307164-B2 β-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-12-11 US disclosed
EP-1490335-B1 BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2007-09-19 EP disclosed
EP-1583534-A4 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2007-08-29 EP disclosed
US-7208498-B2 Piperidino pyrimidine dipeptidyl peptidase inhibitors for the treatment of diabetes MERCK & CO., INC. (US) 2007-04-24 US disclosed
US-20060052382-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. 2006-03-09 US disclosed
US-20060040963-A1 Piperidino pyrimidine dipeptidyl peptidase inhibitors for the treatment of diabetes MERCK SHARP & DOHME LLC 2006-02-23 US disclosed
EP-1583534-A1 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2005-10-12 EP disclosed
US-20050107390-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. 2005-05-19 US disclosed
WO-2004058266-A1 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-07-15 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 (4 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-20050107390-A1 Beta-amino heterocyclic dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 PPARA 986/4885PPARG 961/4885CTSS 702/4885
US-20060052382-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 PPARA 367/4885PPARG 563/4885CTSS 1879/4885
US-20060040963-A1 Piperidino pyrimidine dipeptidyl peptidase inhibitors for the treatment of diabetes DPP4, DPP3, DPP7 PPARA 484/4885PPARG 560/4885CTSS 1145/4885
US-20160200686-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS UTS2R, ADORA3, P2RX7 PPARA 738/4885PPARG 798/4885CTSS 3864/4885

“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.