SCHEMBL11014523

SCHEMBL11014523

COC(=O)c1sc(C(F)(F)F)cc1S(=O)(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
PKM P14618 2/20 0.43
RAF1 P04049 8/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MAPK14 Q16539 7/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MCL1 Q07820 1/20 0.37
NOTUM Q6P988 1/20 0.37
NPC1 O15118 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
SCHEMBL3019240 0.80 KDM4E (0.46) MAPTPKMNPSR1L3MBTL1GAA
SCHEMBL11015128 0.79 ALDH1A1 (0.40) MAPTPKMRAF1NPSR1MAPK14
SCHEMBL3016567 0.78 MAPT (0.40) MAPTPKMRAF1NPSR1MAPK14
SCHEMBL29273316 0.78 NOTUM (0.47) MAPTPKMRAF1MAPK14L3MBTL1
SCHEMBL10805519 0.77 GAA (0.32) MAPTPKML3MBTL1GAAKDM4E
SCHEMBL25202606 0.77 MAPT (0.38) MAPTPKMNPSR1KDM4ENPC1
SCHEMBL8779802 0.77 KDM4E (0.40) MAPTPKMNPSR1L3MBTL1GAA
SCHEMBL281723 0.76 RAF1 (0.42) MAPTPKMRAF1MAPK14L3MBTL1
SCHEMBL4062812 0.75 MAPT (0.42) MAPTPKMRAF1MAPK14L3MBTL1
SCHEMBL16049428 0.74 MAPT (0.39) MAPTPKMRAF1NPSR1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4544655-A Antiinflammatory, analgesic, and antirheumatic 4-hydroxy-2-methyl-n-(2-pyridyl)-6-trifluoromethyl-2H-thieno[2,3-e]-1,2-thiazine-3-carboxamide 1,1-dioxide, corresponding compositions, and 3-carboxylic acid lower alkyl ester intermediates HOFFMANN-LA ROCHE INC. (US) 1985-10-01 US disclosed