SCHEMBL4671004

SCHEMBL4671004

CC(C)C(NS(=O)(=O)N1CCC(Oc2ccc(Cl)cc2)CC1)C(=O)NO

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.74
MMP13 P45452 3/20 0.45
MMP12 P39900 1/20 0.45
FPR2 P25090 5/20 0.44
PROKR1 Q8TCW9 5/20 0.44
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ACACB O00763 1/20 0.42
HRH1 P35367 2/20 0.42
CCR3 P51677 2/20 0.42
MMP9 P14780 2/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
KCNH2 Q12809 1/20 0.41
LMNA P02545 1/20 0.41
ADAM17 P78536 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL4671008 1.00 MMP1 (0.74) MMP1MMP13MMP12FPR2PROKR1
SCHEMBL4674230 0.89 MMP1 (0.62) MMP1MMP13MMP12FPR2PROKR1
SCHEMBL4674234 0.89 MMP1 (0.62) MMP1MMP13MMP12FPR2PROKR1
SCHEMBL4673329 0.89 MMP1 (0.59) MMP1MMP13MMP12FPR2PROKR1
SCHEMBL4673322 0.89 MMP1 (0.59) MMP1MMP13MMP12FPR2PROKR1
SCHEMBL4673324 0.89 MMP1 (0.59) MMP1MMP13MMP12FPR2PROKR1
SCHEMBL4673327 0.89 MMP1 (0.59) MMP1MMP13MMP12FPR2PROKR1
SCHEMBL4671106 0.88 MMP1 (0.58) MMP1MMP13MMP12FPR2PROKR1
SCHEMBL4671102 0.88 MMP1 (0.58) MMP1MMP13MMP12FPR2PROKR1
SCHEMBL4670756 0.85 MMP1 (1.00) MMP1FPR2PROKR1ACACB

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