SCHEMBL6548140

SCHEMBL6548140

C#CS(=O)(=O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.45
MMP14 P50281 3/20 0.43
MMP2 P08253 2/20 0.43
MMP9 P14780 2/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
KIF11 P52732 1/20 0.42
PTGS2 P35354 2/20 0.42
PTGS1 P23219 1/20 0.42
EPHX2 P34913 1/20 0.41
HTR2A P28223 1/20 0.40
NOD1 Q9Y239 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR3C1 P04150 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL16789640 0.81 FFAR4 (0.45) FFAR4MMP14MMP2MMP9BCHE
SCHEMBL6547142 0.79 FFAR4 (0.43) FFAR4MMP14MMP2MMP9BCHE
SCHEMBL31599165 0.78 HTT (0.52) MEN1KMT2AL3MBTL1MMP1MMP13
SCHEMBL13542559 0.76 FFAR4 (0.50) FFAR4MMP14MMP2MMP9BCHE
SCHEMBL3176978 0.75 FFAR4 (0.49) FFAR4MMP14MMP2MMP9BCHE
SCHEMBL514383 0.75 PTGS2 (0.65) FFAR4MMP14MMP2MMP9BCHE
SCHEMBL514382 0.75 FFAR4 (0.49) FFAR4MMP14MMP2MMP9BCHE
SCHEMBL14875137 0.75 FFAR4 (0.49) FFAR4MMP14MMP2MMP9BCHE
SCHEMBL1137645 0.75 PTGS2 (0.65) FFAR4KIF11PTGS2PTGS1SLC6A4
SCHEMBL5333957 0.75 BCHE (0.50) FFAR4MMP14MMP2MMP9BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1162962-B1 ALKYNYL ARYL SULFONES LONZA AG (US) 2004-12-01 EP claimed
EP-1162962-A4 ALKYNYL ARYL SULFONES LONZA AG (US) 2002-10-30 EP claimed
EP-1162962-A1 ALKYNYL ARYL SULFONES LONZA INC. (US) 2001-12-19 EP claimed
US-6232503-B1 MICROBIOCIDES LONZA INC. 2001-05-15 US claimed
WO-2000056305-A1 ALKYNYL ARYL SULFONES LONZA INC. (US) 2000-09-28 WO claimed
EP-1162962-B1 ALKYNYL ARYL SULFONES LONZA AG (US) 2004-12-01 EP disclosed
EP-1162962-A4 ALKYNYL ARYL SULFONES LONZA AG (US) 2002-10-30 EP disclosed
EP-1162962-A1 ALKYNYL ARYL SULFONES LONZA INC. (US) 2001-12-19 EP disclosed
US-6232503-B1 MICROBIOCIDES LONZA INC. 2001-05-15 US disclosed
WO-2000056305-A1 ALKYNYL ARYL SULFONES LONZA INC. (US) 2000-09-28 WO disclosed