SCHEMBL7430744

SCHEMBL7430744

CC#CCOc1ccc(S(=O)(=O)C(CN2CCOCC2)NC(C(=O)O)C(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 16/20 0.52
MMP13 P45452 11/20 0.52
MMP2 P08253 4/20 0.52
MMP1 P03956 8/20 0.49
MMP9 P14780 7/20 0.49
ADAMTS4 O75173 2/20 0.48
MMP14 P50281 2/20 0.47
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ADAM10 O14672 1/20 0.43
MMP7 P09237 1/20 0.43
MMP8 P22894 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
SCHEMBL7527426 0.83 ADAM17 (0.49) ADAM17MMP13MMP2MMP1MMP9
SCHEMBL6773809 0.80 ADAM17 (0.61) ADAM17MMP13MMP2MMP1MMP9
SCHEMBL7396222 0.74 ADAM17 (0.54) ADAM17MMP13MMP2MMP1MMP9
SCHEMBL6499431 0.73 ADAM17 (0.59) ADAM17MMP13MMP2MMP1MMP9
SCHEMBL6504827 0.73 MMP13 (0.55) ADAM17MMP13MMP2MMP1MMP9
SCHEMBL6508748 0.73 MMP9 (0.79) ADAM17MMP13MMP2MMP1MMP9
SCHEMBL7395509 0.72 ADAM17 (0.56) ADAM17MMP13MMP1MMP9MMP14
SCHEMBL6773805 0.72 ADAM17 (0.57) ADAM17MMP13MMP2MMP1MMP9
SCHEMBL6657607 0.71 ADAM17 (0.79) ADAM17MMP13MMP2MMP1MMP9
SCHEMBL6656562 0.71 ADAM17 (0.66) ADAM17MMP13MMP1MMP9

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-1144368-A2 ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS American Cyanamid Company (US) 2001-10-17 EP disclosed
WO-2000044709-A2 ACETYLENIC α-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed