SCHEMBL4673474

SCHEMBL4673474

O=C(NO)[C@H]1CCCCN1S(=O)(=O)N1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.53
USP5 P45974 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MMP7 P09237 3/20 0.45
MMP3 P08254 3/20 0.45
MAPT P10636 2/20 0.45
MMP13 P45452 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
TSHR P16473 1/20 0.42
MMP8 P22894 1/20 0.41
MMP12 P39900 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC1 Q13547 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
SCHEMBL4670777 0.82 MMP1 (0.52) MMP1MMP7MMP3MMP13MMP2
SCHEMBL4676908 0.81 MMP1 (0.41) MMP1USP5ALDH1A1MMP7MMP3
SCHEMBL7499676 0.81 MMP1 (0.41) MMP1USP5ALDH1A1MMP7MMP3
SCHEMBL4673266 0.81 USP5 (0.41) MMP1USP5MMP7MMP3MAPT
SCHEMBL4675374 0.81 SMN1; SMN2 (0.45) MMP1USP5ALDH1A1MMP7MMP3
SCHEMBL4673740 0.80 USP5 (0.42) MMP1USP5ALDH1A1MMP7MMP3
SCHEMBL4676535 0.80 MMP1 (0.52) MMP1USP5ALDH1A1MMP7MMP3
SCHEMBL6264715 0.79 MMP1 (0.60) MMP1ALDH1A1MMP7MMP3MMP13
SCHEMBL4670840 0.79 MMP1 (0.60) MMP1ALDH1A1MMP7MMP3MMP13
SCHEMBL4675645 0.79 HSD11B1 (0.52) MMP1

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 6 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