SCHEMBL6819136

SCHEMBL6819136

COCC#CCOc1ccc(S(=O)(=O)CNc2c(C)cc(Br)cc2C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.58
MMP13 P45452 19/20 0.58
MMP9 P14780 17/20 0.58
MMP1 P03956 12/20 0.58
MMP2 P08253 1/20 0.38
MMP3 P08254 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
SCHEMBL6811146 0.92 ADAM17 (0.57) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL6815417 0.92 ADAM17 (0.59) ADAM17MMP13MMP9MMP1
SCHEMBL3945004 0.91 ADAM17 (0.68) ADAM17MMP13MMP9MMP1
SCHEMBL6815491 0.91 MMP13 (0.53) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL6816580 0.90 ADAM17 (0.60) ADAM17MMP13MMP9MMP1MMP2
SCHEMBL6810712 0.89 ADAM17 (0.61) ADAM17MMP13MMP9MMP1
SCHEMBL6816630 0.88 ADAM17 (0.50) ADAM17MMP13MMP9MMP1
SCHEMBL6814713 0.88 ADAM17 (0.52) ADAM17MMP13MMP9MMP1
SCHEMBL6815416 0.87 ADAM17 (0.53) ADAM17MMP13MMP9MMP1
SCHEMBL6815806 0.85 MMP13 (0.55) ADAM17MMP13MMP9MMP1MMP2

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-B1 ACETYLENIC ARYL SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS WYETH CORP (US) 2004-07-21 EP disclosed
US-6277885-B1 INHIBITORS OF TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY 2001-08-21 US disclosed