SCHEMBL8445758

SCHEMBL8445758

Cc1ccc(C#Cc2ccc(S(=O)(=O)N[C@H](CO)C(=O)O)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 14/20 0.76
MMP13 P45452 12/20 0.76
MMP3 P08254 10/20 0.76
MMP9 P14780 7/20 0.66
TDP1 Q9NUW8 1/20 0.56
MMP1 P03956 3/20 0.52
MMP8 P22894 1/20 0.51
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50

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
SCHEMBL35211007 0.92 TDP1 (0.64) MMP2MMP13MMP3MMP9TDP1
SCHEMBL5193396 0.92 TDP1 (0.64) MMP2MMP13MMP3MMP9TDP1
SCHEMBL1734695 0.92 TDP1 (0.64) MMP2MMP13MMP3MMP9TDP1
SCHEMBL8448575 0.86 MMP2 (0.67) MMP2MMP13MMP3MMP9TDP1
SCHEMBL8445799 0.85 MMP2 (0.86) MMP2MMP13MMP3MMP9TDP1
Serine SCHEMBL7206811 0.84 SLC1A3 (0.57) MMP2MMP13MMP3MMP9TDP1
SCHEMBL8449058 0.83 MMP2 (0.67) MMP2MMP13MMP3MMP9TDP1
SCHEMBL2904532 0.83 MMP2 (0.81) MMP2MMP13MMP3MMP9MMP1
SCHEMBL8449004 0.82 MMP9 (0.75) MMP2MMP13MMP3MMP9MMP1
SCHEMBL8450205 0.82 MMP9 (0.75) MMP2MMP13MMP3MMP9MMP1

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