SCHEMBL7397646

SCHEMBL7397646

CC#CCOc1ccc(S(=O)(=O)N(Cc2cccnc2)N(O)C(=O)C(C(C)C)C(C(=O)NO)(C2CCCCC2)N(C)S(=O)(=O)c2ccc(OCC#CC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 19/20 0.52
ADAM17 P78536 17/20 0.52
MMP9 P14780 15/20 0.52
MMP1 P03956 15/20 0.52
MMP2 P08253 3/20 0.41
MMP8 P22894 3/20 0.41
MMP7 P09237 1/20 0.38

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
SCHEMBL6502886 0.79 ADAM17 (0.58) MMP13ADAM17MMP9MMP1MMP2
Acetohydroxamic Acid SCHEMBL3940028 0.74 ADAM17 (0.64) MMP13ADAM17MMP9MMP1MMP2
SCHEMBL3940026 0.74 MMP9 (0.62) MMP13ADAM17MMP9MMP1MMP2
SCHEMBL3947833 0.71 MMP9 (0.77) MMP13ADAM17MMP9MMP1MMP2
SCHEMBL6628728 0.71 MMP9 (0.69) MMP13ADAM17MMP9MMP1MMP2
Hydrochloric Acid SCHEMBL3946389 0.70 MMP9 (0.68) MMP13ADAM17MMP9MMP1MMP2
SCHEMBL3940955 0.70 ADAM17 (0.64) MMP13ADAM17MMP9MMP1MMP2
SCHEMBL6625851 0.69 MMP13 (1.00) MMP13ADAM17MMP9MMP1MMP2
Hydrochloric Acid SCHEMBL3938354 0.69 MMP13 (0.98) MMP13ADAM17MMP9MMP1MMP2
SCHEMBL6501401 0.68 MMP9 (0.65) MMP13ADAM17MMP9MMP1MMP2

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