SCHEMBL4674797

SCHEMBL4674797

CN(C)S(=O)(=O)N1CCN(S(=O)(=O)N2CCC(c3c[nH]c4c(F)c(F)c(F)c(F)c34)CC2)[C@@H](C(=O)NO)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.35
MMP9 P14780 5/20 0.35
MMP3 P08254 4/20 0.35
MMP7 P09237 4/20 0.35
MMP13 P45452 4/20 0.35
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 0.33
LMNA P02545 1/20 0.31
ADAM17 P78536 1/20 0.31
HTR1F P30939 1/20 0.30
IKBKB O14920 1/20 0.30

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
SCHEMBL4671736 0.88 MMP13 (0.35) MMP1MMP9MMP3MMP7MMP13
SCHEMBL7445328 0.88 MMP13 (0.35) MMP1MMP9MMP3MMP7MMP13
SCHEMBL4670933 0.84 MMP1 (0.45) MMP1MMP9MMP3MMP7MMP13
SCHEMBL7511113 0.84 MMP1 (0.45) MMP1MMP9MMP3MMP7MMP13
SCHEMBL4676908 0.78 MMP1 (0.41) MMP1MMP9MMP3MMP7MMP13
SCHEMBL7499676 0.78 MMP1 (0.41) MMP1MMP9MMP3MMP7MMP13
SCHEMBL4670825 0.76 SLC6A4 (0.43) MMP9MMP2ADAM17
SCHEMBL7464250 0.76 IRAK4 (0.32)
SCHEMBL7507631 0.75 IKBKB (0.36) MMP1MMP9MMP3MMP7MMP13
SCHEMBL4670750 0.75 IKBKB (0.36) MMP1MMP9MMP3MMP7MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed
EP-0958287-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP disclosed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 WO disclosed