SCHEMBL7396222

SCHEMBL7396222

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

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.54
MMP13 P45452 14/20 0.54
MMP9 P14780 13/20 0.54
MMP1 P03956 12/20 0.54
MMP7 P09237 2/20 0.47
MMP8 P22894 2/20 0.47
MMP14 P50281 2/20 0.47
ADAM10 O14672 1/20 0.47
MMP2 P08253 2/20 0.44

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
SCHEMBL7398933 0.91 ADAM17 (0.53) ADAM17MMP13MMP9MMP1MMP7
SCHEMBL6773809 0.84 ADAM17 (0.61) ADAM17MMP13MMP9MMP1MMP7
SCHEMBL7396529 0.78 ADAM17 (0.50) ADAM17MMP13MMP9MMP1MMP7
SCHEMBL6508748 0.77 MMP9 (0.79) ADAM17MMP13MMP9MMP1MMP7
Hydrochloric Acid SCHEMBL7388495 0.77 ADAM17 (0.59) ADAM17MMP13MMP9MMP1MMP7
SCHEMBL7394450 0.77 ADAM17 (0.56) ADAM17MMP13MMP9MMP1MMP7
Hydrochloric Acid SCHEMBL7396046 0.76 ADAM17 (0.55) ADAM17MMP13MMP9MMP1MMP7
SCHEMBL6499431 0.76 ADAM17 (0.59) ADAM17MMP13MMP9MMP1MMP7
SCHEMBL7394268 0.75 ADAM17 (0.60) ADAM17MMP13MMP9MMP1MMP7
SCHEMBL6773805 0.74 ADAM17 (0.57) ADAM17MMP13MMP9MMP1MMP7

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