SCHEMBL4731774

SCHEMBL4731774

O=C(NO)C1CN(CC(F)(F)F)CCN1S(=O)(=O)N1CC=C(c2ccc(F)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.41
MMP3 P08254 4/20 0.41
LMNA P02545 2/20 0.40
THRB P10828 1/20 0.40
SIGMAR1 Q99720 5/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4671727 1.00 MMP2 (0.41) MMP2MMP3LMNATHRBSIGMAR1
SCHEMBL7461267 0.85 MMP2 (0.39) MMP2MMP3LMNATHRBSIGMAR1
SCHEMBL4676634 0.81 LMNA (0.43) MMP2MMP3LMNATHRBKDM4E
SCHEMBL4673925 0.81 LMNA (0.43) MMP2MMP3LMNATHRBSIGMAR1
SCHEMBL4671560 0.81 LMNA (0.43) MMP2MMP3LMNATHRBKDM4E
SCHEMBL4674820 0.81 LMNA (0.43) MMP2MMP3LMNATHRBSIGMAR1
SCHEMBL7447815 0.81 LMNA (0.43) MMP2MMP3LMNATHRBKDM4E
SCHEMBL4674941 0.81 MMP1 (0.48) MMP2MMP3LMNATHRBSIGMAR1
SCHEMBL4673740 0.80 USP5 (0.42) MMP3MAPT
SCHEMBL8149255 0.80 MMP1 (0.47) MMP2MMP3LMNATHRBKDM4E

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 5 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