SCHEMBL4671682

SCHEMBL4671682

Cc1cc(C2=CCN(S(=O)(=O)N3CCCCC3C(=O)O)CC2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.43
MMP3 P08254 10/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 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
SCHEMBL4671681 1.00 MMP2 (0.43) MMP2MMP3LMNATHRBCCNT1
SCHEMBL4676047 0.90 MMP3 (0.46) MMP2MMP3LMNATHRBCCNT1
SCHEMBL4674088 0.88 MMP2 (0.43) MMP2MMP3LMNATHRBCCNT1
SCHEMBL4674089 0.88 MMP2 (0.43) MMP2MMP3LMNATHRBCCNT1
SCHEMBL4671598 0.87 MMP2 (0.41) MMP2MMP3LMNATHRBCCNT1
SCHEMBL4674941 0.78 MMP1 (0.48) MMP2MMP3LMNATHRBCCNT1
SCHEMBL4677161 0.76 MMP2 (0.41) MMP2MMP3LMNATHRBCCNT1
SCHEMBL4675047 0.73 MMP1 (0.48) MMP2MMP3ALDH1A1HTT
SCHEMBL4676814 0.73 MMP3 (0.51) MMP2MMP3
SCHEMBL4674327 0.72 LMNA (0.45) MMP2MMP3LMNATHRBCCNT1

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 10 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-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