SCHEMBL6625906

SCHEMBL6625906

CC#CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)Oc2ccc(OCCN)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 18/20 0.65
MMP1 P03956 15/20 0.65
MMP9 P14780 14/20 0.65
MMP13 P45452 12/20 0.65
MMP14 P50281 4/20 0.56
ADAM10 O14672 3/20 0.56
MMP7 P09237 1/20 0.56
MMP8 P22894 1/20 0.56
MMP2 P08253 3/20 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
SCHEMBL6506135 0.84 ADAM17 (0.76) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL6503324 0.82 ADAM17 (0.73) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL6502069 0.81 ADAM17 (0.78) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL3939685 0.80 ADAM17 (0.80) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL3938273 0.79 ADAM17 (1.00) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL6500722 0.76 ADAM17 (0.77) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL6498491 0.76 ADAM17 (0.62) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL6677629 0.75 ADAM17 (0.68) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL7395447 0.74 ADAM17 (0.58) ADAM17MMP1MMP9MMP13MMP14
SCHEMBL6501190 0.74 ADAM17 (0.64) 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
EP-1144368-B1 ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS WYETH CORP (US) 2004-07-14 EP disclosed
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