SCHEMBL6630004

SCHEMBL6630004

CC#CCOc1ccc(S(=O)(=O)N[C@](N)(CCCC(=O)OC(C)(C)C)C(=O)NOC(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.55
MMP13 P45452 14/20 0.55
MMP1 P03956 11/20 0.55
MMP9 P14780 9/20 0.55
MMP14 P50281 3/20 0.45
MMP2 P08253 2/20 0.45
ADAM10 O14672 1/20 0.41
MMP7 P09237 1/20 0.41
MMP8 P22894 1/20 0.41

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
SCHEMBL7361693 0.77 ADAM17 (0.70) ADAM17MMP13MMP1MMP9MMP14
SCHEMBL7356913 0.72 ADAM17 (0.69) ADAM17MMP13MMP1MMP9MMP14
SCHEMBL3940762 0.72 ADAM17 (1.00) ADAM17MMP13MMP1MMP9MMP14
SCHEMBL6650499 0.72 ADAM17 (0.61) ADAM17MMP13MMP1MMP9MMP14
SCHEMBL7397506 0.70 ADAM17 (0.76) ADAM17MMP13MMP1MMP9MMP14
SCHEMBL6627004 0.70 ADAM17 (0.58) ADAM17MMP13MMP1MMP9MMP14
SCHEMBL6505354 0.68 ADAM17 (0.58) ADAM17MMP13MMP1MMP9MMP14
SCHEMBL6504875 0.68 ADAM17 (0.55) ADAM17MMP13MMP1MMP9MMP14
SCHEMBL6648366 0.68 ADAM17 (0.65) ADAM17MMP13MMP1MMP9MMP14
SCHEMBL7431405 0.67 ADAM17 (0.57) ADAM17MMP13MMP1MMP9MMP14

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