SCHEMBL7414913

SCHEMBL7414913

CC#CCOc1ccc(S(=O)(=O)N(C)CC(C)O)cc1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 20/20 0.77
MMP13 P45452 16/20 0.65
MMP8 P22894 4/20 0.65
MMP2 P08253 4/20 0.65
MMP7 P09237 3/20 0.65
MMP9 P14780 14/20 0.63
MMP1 P03956 13/20 0.63
MMP14 P50281 2/20 0.51
ADAM10 O14672 1/20 0.51

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
SCHEMBL7356912 0.83 ADAM17 (0.65) ADAM17MMP13MMP8MMP2MMP7
SCHEMBL6508472 0.83 ADAM17 (0.76) ADAM17MMP13MMP8MMP2MMP7
SCHEMBL6330964 0.82 ADAM17 (0.52) ADAM17MMP13MMP8MMP2MMP7
SCHEMBL7354960 0.81 ADAM17 (0.80) ADAM17MMP13MMP8MMP2MMP7
SCHEMBL6499544 0.81 ADAM17 (0.77) ADAM17MMP13MMP8MMP2MMP7
SCHEMBL6323461 0.80 CA12 (0.51) ADAM17MMP13MMP8MMP2MMP9
SCHEMBL6674336 0.80 ADAM17 (0.67) ADAM17MMP13MMP8MMP2MMP7
SCHEMBL6325698 0.79 KEAP1 (0.51) ADAM17MMP13MMP8MMP2MMP7
SCHEMBL6499433 0.79 ADAM17 (0.78) ADAM17MMP13MMP8MMP2MMP7
SCHEMBL6325897 0.78 MMP2 (0.60) ADAM17MMP13MMP2MMP9MMP14

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-1149074-A1 ACETYLENIC SULFONAMIDE THIOL TACE INHIBITORS American Cyanamid Company (US) 2001-10-31 EP disclosed
WO-2000044716-A1 ACETYLENIC SULFONAMIDE THIOL TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed