SCHEMBL4670933

SCHEMBL4670933

O=C(NO)[C@H]1CCCCN1S(=O)(=O)N1CCC(c2c[nH]c3c(F)c(F)c(F)c(F)c23)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.45
MMP13 P45452 6/20 0.37
MMP7 P09237 5/20 0.37
MMP3 P08254 3/20 0.37
MMP2 P08253 4/20 0.35
MMP9 P14780 4/20 0.35
MMP8 P22894 6/20 0.34
MMP12 P39900 5/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
HTR1F P30939 1/20 0.32
FKBP1A P62942 1/20 0.32
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL7511113 1.00 MMP1 (0.45) MMP1MMP13MMP7MMP3MMP2
SCHEMBL7462742 0.86 MMP1 (0.32) MMP1
SCHEMBL7326111 0.84 MMP1 (0.52) MMP1MMP13MMP7MMP3MMP2
SCHEMBL7445328 0.84 MMP13 (0.35) MMP1MMP13MMP7MMP3MMP9
SCHEMBL4671736 0.84 MMP13 (0.35) MMP1MMP13MMP7MMP3MMP9
SCHEMBL4674797 0.84 MMP1 (0.35) MMP1MMP13MMP7MMP3MMP2
SCHEMBL4675645 0.78 HSD11B1 (0.52) MMP1HTR1F
SCHEMBL4676377 0.75 CYP1A2 (0.52) MMP1CYP3A4CYP2C9CYP2D6HTR1F
SCHEMBL4673474 0.75 MMP1 (0.53) MMP1MMP13MMP7MMP3MMP2
SCHEMBL4673400 0.74 OPRM1 (0.46) MMP1CYP3A4CYP2C9CYP2D6HTR1F

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 claimed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP claimed
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