SCHEMBL167892

SCHEMBL167892

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
CAMK2A Q9UQM7 1/20 0.46
MEP1B Q16820 1/20 0.45
RXRA P19793 5/20 0.45
RXRB P28702 5/20 0.45
RXRG P48443 5/20 0.45
AKR1B1 P15121 1/20 0.44
ABCC4 O15439 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
PTGS1 P23219 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TBXA2R P21731 1/20 0.42
PTGS2 P35354 2/20 0.41
RORC P51449 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL167112 0.81 MMP9 (0.51) LMNAGAAHTTALDH1A1KDM4E
SCHEMBL16423289 0.79 PTPRZ1 (0.53) CA2CAMK2AMEP1BRXRARXRB
SCHEMBL165384 0.78 PSIP1 (0.57) CA2CAMK2AMEP1BAKR1B1ABCC4
SCHEMBL10181399 0.77 CA2 (0.52) CA2GAAPTGS1ALDH1A1KDM4E
SCHEMBL16799869 0.76 CA2 (0.46) CA2CAMK2AMEP1BAKR1B1ABCC4
SCHEMBL8795743 0.76 CA2 (0.52) CA2LMNAGAAALDH1A1
SCHEMBL6704542 0.76 CA2 (0.54) CA2CAMK2AMEP1BRXRARXRB
SCHEMBL778104 0.75 PSIP1 (0.54) CA2TSHRALDH1A1HPGDHSD17B10
SCHEMBL10061269 0.75 CA2 (0.56) CA2CAMK2AMEP1BAKR1B1ABCC4
SCHEMBL4016937 0.75 EGFR (0.51) CA2CAMK2AMEP1BTSHRALDH1A1

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