SCHEMBL8448587

SCHEMBL8448587

CCCCCC#Cc1ccc(S(=O)(=O)N(O)[C@H]([C]=O)C(N)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
MMP2 P08253 3/20 0.42
MMP12 P39900 1/20 0.42
GGPS1 O95749 1/20 0.35
TNK2 Q07912 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
CA2 P00918 1/20 0.34
MMP3 P08254 1/20 0.34
MMP13 P45452 1/20 0.34
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33

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
SCHEMBL8448260 0.99 FFAR1 (0.45) FFAR1FFAR4MMP2MMP12GGPS1
SCHEMBL8450007 0.92 CA12 (0.36) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL8445800 0.92 CA12 (0.36) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL8446520 0.81 CA12 (0.33) CA12CA1CA9CA2MMP13
SCHEMBL8446610 0.80 CA12 (0.48) MMP2CA12CA1CA9CA2
SCHEMBL8445793 0.76 TNNC1 (0.34) CA12CA1CA9CA2MMP3
SCHEMBL8448311 0.70 MMP9 (0.45) MMP2MMP3MMP13
SCHEMBL8445774 0.69 ATM (0.42)
SCHEMBL7874162 0.68 MMP2 (0.50) FFAR1FFAR4MMP2MMP12GGPS1
SCHEMBL7866972 0.68 FFAR1 (0.62) FFAR1FFAR4MMP2MMP12TNK2

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-0915086-A1 PHENYLSULFONAMIDE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1999-05-12 EP claimed
EP-0915086-A1 PHENYLSULFONAMIDE DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1999-05-12 EP disclosed