SCHEMBL4674088

SCHEMBL4674088

O=C(O)[C@H]1CCCCN1S(=O)(=O)N1CC=C(c2ccc(F)c(Cl)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.43
MMP3 P08254 3/20 0.43
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
THRB P10828 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.40
SIGMAR1 Q99720 3/20 0.40
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MMP14 P50281 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
SLC18A3 Q16572 1/20 0.36

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
SCHEMBL4674089 1.00 MMP2 (0.43) MMP2MMP3CCNT1CDK9THRB
SCHEMBL4671681 0.88 MMP2 (0.43) MMP2MMP3CCNT1CDK9THRB
SCHEMBL4671682 0.88 MMP2 (0.43) MMP2MMP3CCNT1CDK9THRB
SCHEMBL4677161 0.87 MMP2 (0.41) MMP2MMP3CCNT1CDK9THRB
SCHEMBL4676047 0.78 MMP3 (0.46) MMP2MMP3CCNT1CDK9THRB
SCHEMBL4674941 0.78 MMP1 (0.48) MMP2MMP3CCNT1CDK9THRB
SCHEMBL4675047 0.78 MMP1 (0.48) MMP2MMP3MAPTSMN1; SMN2ALDH1A1
SCHEMBL4671598 0.76 MMP2 (0.41) MMP2MMP3CCNT1CDK9THRB
SCHEMBL5376869 0.71 MAPT (0.50) MMP2MMP3MAPTSMN1; SMN2ALDH1A1
SCHEMBL4674327 0.71 LMNA (0.45) MMP2MMP3CCNT1CDK9THRB

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 9 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
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US 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