SCHEMBL12596097

SCHEMBL12596097

CS(=O)(=O)c1ccc2c(c1)CCCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.51
BRD1 O95696 1/20 0.51
BRPF1 P55201 1/20 0.51
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
PKM P14618 4/20 0.48
PKLR P30613 1/20 0.47
MAPT P10636 1/20 0.46
PTGS2 P35354 3/20 0.46
PTGS1 P23219 1/20 0.44
CLK1 P49759 1/20 0.44
DYRK1A Q13627 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
PNMT P11086 1/20 0.44
CTNNB1 P35222 2/20 0.43
WNT3A P56704 2/20 0.43
CHRM5 P08912 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NOTUM Q6P988 1/20 0.43

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
SCHEMBL8164691 0.90 PKM (0.57) KEAP1NFE2L2PKMPKLRMAPT
SCHEMBL27898021 0.88 PTGS2 (0.52) TRIM24BRD1BRPF1KEAP1NFE2L2
SCHEMBL12595463 0.87 USP9X (0.45) TRIM24BRD1BRPF1PKMPTGS2
SCHEMBL91968 0.84 TRIM24 (0.42) TRIM24BRD1BRPF1KEAP1NFE2L2
SCHEMBL6674134 0.83 CA2 (0.59) TRIM24BRD1BRPF1KEAP1NFE2L2
SCHEMBL6307961 0.83 KEAP1 (0.51) TRIM24BRD1BRPF1KEAP1NFE2L2
SCHEMBL5747283 0.83 PKM (0.49) TRIM24BRD1BRPF1KEAP1NFE2L2
SCHEMBL3776295 0.83 KEAP1 (0.54) TRIM24BRD1BRPF1KEAP1NFE2L2
SCHEMBL14089191 0.81 FFAR4 (0.57) PKMPKLRPTGS2NPC1RAB9A
SCHEMBL12157395 0.77 PKM (0.61) PKMPKLRPTGS2NPC1RAB9A

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
EP-1803709-B1 PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-01-02 EP disclosed
EP-2336107-A2 Proton pump inhibitors Takeda Pharmaceutical Company Limited (JP) 2011-06-22 EP disclosed