SCHEMBL6670657

SCHEMBL6670657

CC#CCOc1ccc(S(=O)(=O)NC(SC)(C(=O)NO)C(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.68
MMP1 P03956 17/20 0.68
MMP13 P45452 17/20 0.68
MMP9 P14780 16/20 0.68
MMP14 P50281 2/20 0.56
MMP7 P09237 2/20 0.56
MMP8 P22894 2/20 0.56
ADAM10 O14672 1/20 0.56
MMP2 P08253 2/20 0.55

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
SCHEMBL6650754 0.88 ADAM17 (0.63) ADAM17MMP1MMP13MMP9MMP14
SCHEMBL3940762 0.81 ADAM17 (1.00) ADAM17MMP1MMP13MMP9MMP14
SCHEMBL7397506 0.78 ADAM17 (0.76) ADAM17MMP1MMP13MMP9MMP14
SCHEMBL6670655 0.75 ADAM17 (0.80) ADAM17MMP1MMP13MMP9MMP14
SCHEMBL6650747 0.75 ADAM17 (0.64) ADAM17MMP1MMP13MMP9MMP14
SCHEMBL3938273 0.74 ADAM17 (1.00) ADAM17MMP1MMP13MMP9MMP14
SCHEMBL3945001 0.74 ADAM17 (0.77) ADAM17MMP1MMP13MMP9MMP14
SCHEMBL3940212 0.73 ADAM17 (0.72) ADAM17MMP1MMP13MMP9MMP14
SCHEMBL3948065 0.73 MMP1 (1.00) ADAM17MMP1MMP13MMP9MMP14
SCHEMBL6677629 0.73 ADAM17 (0.68) ADAM17MMP1MMP13MMP9MMP14

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 claimed