SCHEMBL6279907

SCHEMBL6279907

Cc1cc(C)c(S(N)(=O)=O)c(CC(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 10/20 0.40
NR3C2 P08235 9/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
PGR P06401 7/20 0.39
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
GAA P10253 1/20 0.37
RAPGEF4 Q8WZA2 2/20 0.37

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
SCHEMBL113366 0.77 CA1 (0.52) CA1CA2CA12CA7CA13
SCHEMBL18019197 0.77 GABRA1 (0.47) CA1CA2CA12CA7CA13
SCHEMBL9218786 0.70 ALDH1A1 (0.50) CA1CA2CA12CA7CA13
SCHEMBL5530071 0.69 NOS2 (0.38)
SCHEMBL8169097 0.69 GAA (0.43) CA1CA2CA12CA7GAA
SCHEMBL18853826 0.69 NOS2 (0.48)
SCHEMBL6934299 0.68 GABRA1 (0.47) NR3C1NR3C2CA1CA2PGR
SCHEMBL21100054 0.68 NOS3 (0.36) RAPGEF4
SCHEMBL16276019 0.68 GABRA1 (0.42) NR3C1NR3C2PGRGAA
SCHEMBL1322793 0.66 CA2 (0.40) CA1CA2CA12CA7CA13

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-1597248-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-11-23 EP disclosed
WO-2004073606-A2 SULFONAMIDE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-09-02 WO disclosed