SCHEMBL6497716

SCHEMBL6497716

COc1ccc(CC2SC(=O)NC2=O)cc1CN(c1ccc(C(F)(F)F)cc1)S(N)(=O)=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.52
PPARG P37231 5/20 0.48
FFAR1 O14842 3/20 0.44
CA2 P00918 1/20 0.42
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
MPC2 O95563 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAOA P21397 2/20 0.36
CISD1 Q9NZ45 2/20 0.36
PPARA Q07869 3/20 0.36
PPARD Q03181 2/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6497355 0.81 PPARG (0.54) PTPN1PPARGFFAR1CA2ALDH1A1
SCHEMBL6498084 0.79 FFAR1 (0.56) PTPN1PPARGFFAR1CA2ALDH1A1
SCHEMBL6506168 0.78 PPARD (0.61) PTPN1PPARGPPARAPPARD
SCHEMBL6234889 0.77 PPARA (0.58) PTPN1PPARGFFAR1CA2MAPT
SCHEMBL6232308 0.73 PPARG (0.56) PTPN1PPARGFFAR1CA2ALDH1A1
SCHEMBL6502439 0.73 PPARD (0.61) PTPN1PPARGPPARAPPARD
SCHEMBL6232906 0.73 PPARA (0.57) PTPN1PPARGFFAR1CA2ALDH1A1
SCHEMBL3922 0.73 PPARA (0.61) PTPN1PPARGPPARAPPARD
SCHEMBL20125593 0.73 PPARA (0.61) PTPN1PPARGPPARAPPARD
SCHEMBL14379043 0.73 PPARA (0.61) PTPN1PPARGPPARAPPARD

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
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed