SCHEMBL167112

SCHEMBL167112

COC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.51
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
RORC P51449 5/20 0.45
CTSG P08311 1/20 0.45
CMA1 P23946 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.41
PDK2 Q15119 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
SCHEMBL257153 0.82 MMP9 (0.57) MMP9CYP4F2CYP4A11RORCCTSG
SCHEMBL167892 0.81 CA2 (0.46) RORCALDH1A1GAAKDM4EHPGD
SCHEMBL175501 0.78 CYP4F2 (0.60) MMP9CYP4F2CYP4A11CTSGCMA1
SCHEMBL1096091 0.77 CYP4F2 (0.58) MMP9CYP4F2CYP4A11CTSGCMA1
SCHEMBL4113212 0.76 CYP4F2 (0.76) CYP4F2CYP4A11SMN1; SMN2ALDH1A1GAA
SCHEMBL23174344 0.76 MMP9 (0.64) MMP9CYP4F2CYP4A11RORCCTSG
SCHEMBL10141348 0.76 CYP4F2 (0.56) MMP9CYP4F2CYP4A11CTSGCMA1
SCHEMBL22664337 0.76 CA2 (0.58) CYP4F2CYP4A11SMN1; SMN2ALDH1A1GAA
SCHEMBL184666 0.76 CYP4F2 (0.56) MMP9CYP4F2CYP4A11CTSGCMA1
SCHEMBL10181399 0.75 CA2 (0.52) ALDH1A1GAAKDM4EHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015101928-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-09 WO disclosed
WO-2015101928-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-09 WO disclosed
WO-2012028100-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed
WO-2012028100-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed
WO-2012027965-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed
WO-2012027965-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed