SCHEMBL4462979

SCHEMBL4462979

CCN(C(=O)C(F)(F)F)C(CSCc1ccccc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
ACE P12821 3/20 0.40
CYP2C19 P33261 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
PPARD Q03181 2/20 0.37
CES1 P23141 2/20 0.37
METAP2 P50579 1/20 0.36
RIPK1 Q13546 2/20 0.36
CPA1 P15085 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
SCHEMBL8311399 0.85 PPARA (0.37) PPARGPPARAACECYP2C19PPARD
SCHEMBL8922764 0.84 PPARG (0.42) PPARGPPARAACECYP2C19PPARD
SCHEMBL14640210 0.72 CPA1 (0.44) ACECYP2C19CES1CPA1
SCHEMBL8314036 0.72 PPARA (0.36) PPARGPPARAACECYP2C19PPARD
SCHEMBL8310840 0.71 PPARA (0.42) PPARGPPARAACECYP2C19PPARD
SCHEMBL18270379 0.70 PPARA (0.47) PPARGPPARAACECYP2C19
SCHEMBL4983034 0.70 PPARA (0.47) PPARGPPARAACECYP2C19
SCHEMBL10420288 0.70 MEN1 (0.43) CYP2C19CES1RIPK1CPA1
SCHEMBL10420286 0.70 MEN1 (0.43) CYP2C19CES1RIPK1CPA1
SCHEMBL8310839 0.69 ACE (0.42) PPARGPPARAACECYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2064202-A2 A NEW CRYSTALLINE FORM G OF (5S)-5-[4-(5-CHLORO-PYRIDIN-2-YLOXY)-PIPERIDINE-1-SULFONYL-METHYL]-5-METHYL-IMIDAZOLIDINE-2,4-DIONE (I) AND INTERMEDIATES THEREOF. AstraZeneca AB (SE) 2009-06-03 EP disclosed
WO-2007106022-A2 A NEW CRYSTALLINE FORM G OF (5S) -5- [4- (5-CHLORO-PYRIDIN-2- YLOXY) -PIPERIDINE-1-SULFONYLMETHYL] - 5 -METHYL -IMIDAZOLIDINE - 2,4-DIONE (I) AND INTERMEDIATES THEREOF. ASTRAZENECA AB (SE) 2007-09-20 WO disclosed