SCHEMBL7862869

SCHEMBL7862869

CC#CC(Oc1ccc(S(=O)(=O)N(C)c2c(C)cc(Br)cc2C(=O)OC)cc1)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 20/20 0.53
MMP13 P45452 20/20 0.53
ADAM17 P78536 19/20 0.53
MMP1 P03956 13/20 0.53

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
SCHEMBL7862879 0.92 MMP9 (0.64) MMP9MMP13ADAM17MMP1
SCHEMBL6814792 0.78 ADAM17 (0.82) MMP9MMP13ADAM17MMP1
SCHEMBL6810778 0.78 MMP9 (0.81) MMP9MMP13ADAM17MMP1
SCHEMBL6814746 0.76 ADAM17 (0.68) MMP9MMP13ADAM17MMP1
SCHEMBL6819210 0.75 ADAM17 (0.65) MMP9MMP13ADAM17MMP1
SCHEMBL6818857 0.74 ADAM17 (0.64) MMP9MMP13ADAM17MMP1
SCHEMBL6810934 0.74 ADAM17 (0.82) MMP9MMP13ADAM17MMP1
SCHEMBL6814733 0.73 ADAM17 (0.81) MMP9MMP13ADAM17MMP1
SCHEMBL6814930 0.72 ADAM17 (0.61) MMP9MMP13ADAM17MMP1
SCHEMBL6819057 0.72 ADAM17 (0.76) MMP9MMP13ADAM17MMP1

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-1144369-A2 ACETYLENIC ARYL SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS American Cyanamid Company (US) 2001-10-17 EP disclosed
WO-2000044710-A2 ACETYLENIC ARYL SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed