SCHEMBL7362962

SCHEMBL7362962

CC#CCOc1ccc(S(=O)(=O)NCCC(=O)O)cc1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 16/20 0.78
MMP1 P03956 14/20 0.78
MMP9 P14780 13/20 0.78
MMP13 P45452 13/20 0.78
MMP14 P50281 2/20 0.66
MMP2 P08253 2/20 0.66
MMP7 P09237 2/20 0.54
MMP8 P22894 2/20 0.54
ADAM10 O14672 1/20 0.54
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL3944045 0.88 ADAM17 (1.00) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL6501738 0.87 ADAM17 (0.77) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL7361693 0.84 ADAM17 (0.70) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL3941442 0.80 ADAM17 (1.00) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL2945763 0.79 ALDH1A1 (0.69) ALDH1A1
SCHEMBL7354960 0.79 ADAM17 (0.80) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL6290001 0.78 ADAM17 (0.63) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL6502198 0.78 ADAM17 (0.70) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL3948476 0.77 ADAM17 (0.69) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL6887919 0.77 ADAM17 (0.59) ADAM17MMP1MMP9MMP13MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326516-B1 RHEUMATIC DISEASES; SEPSIS; ANTIULCER AGENTS AMERICAN CYANAMID COMPANY 2001-12-04 US disclosed
EP-1147078-A1 ACETYLENIC (BETA)-SULFONAMIDO AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS American Cyanamid Company (US) 2001-10-24 EP disclosed
WO-2000044711-A1 ACETYLENIC $G(b)-SULFONAMIDO AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed