SCHEMBL6648366

SCHEMBL6648366

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

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.65
MMP1 P03956 14/20 0.65
MMP9 P14780 14/20 0.65
MMP13 P45452 14/20 0.65
MMP2 P08253 3/20 0.55
MMP14 P50281 2/20 0.55
MMP8 P22894 3/20 0.50
MMP7 P09237 2/20 0.50
ADAM10 O14672 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
SCHEMBL6650499 0.88 ADAM17 (0.61) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL3940762 0.79 ADAM17 (1.00) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL6625903 0.76 ADAM17 (0.58) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL6502723 0.76 ADAM17 (0.58) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL7431405 0.76 ADAM17 (0.57) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL6754093 0.75 ADAM17 (0.54) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL6501738 0.75 ADAM17 (0.77) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL7397506 0.75 ADAM17 (0.76) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL6648362 0.75 ADAM17 (0.68) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL6290001 0.74 ADAM17 (0.63) ADAM17MMP1MMP9MMP13MMP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144368-B1 ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS WYETH CORP (US) 2004-07-14 EP disclosed