SCHEMBL4674941

SCHEMBL4674941

O=C(NO)[C@H]1CCCCN1S(=O)(=O)N1CC=C(c2ccc(F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.48
LMNA P02545 3/20 0.46
THRB P10828 1/20 0.46
MMP3 P08254 5/20 0.44
MMP2 P08253 4/20 0.44
MMP9 P14780 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MMP13 P45452 2/20 0.42
MMP7 P09237 2/20 0.42
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
MMP8 P22894 1/20 0.41
MMP12 P39900 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 2/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 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
SCHEMBL4675047 0.89 MMP1 (0.48) MMP1MMP3MMP2MMP9MMP13
SCHEMBL4676047 0.87 MMP3 (0.46) MMP1LMNATHRBMMP3MMP2
SCHEMBL4675090 0.87 ADAM17 (0.50) MMP1LMNATHRBMMP3MMP2
SCHEMBL7465557 0.84 LMNA (0.43) MMP1LMNATHRBMMP3MMP2
SCHEMBL4676634 0.82 LMNA (0.43) MMP1LMNATHRBMMP3MMP2
SCHEMBL4673925 0.81 LMNA (0.43) MMP1LMNATHRBMMP3MMP2
SCHEMBL4671560 0.81 LMNA (0.43) MMP1LMNATHRBMMP3MMP2
SCHEMBL7447815 0.81 LMNA (0.43) MMP1LMNATHRBMMP3MMP2
SCHEMBL4674820 0.81 LMNA (0.43) MMP1LMNATHRBMMP3MMP2
SCHEMBL4671727 0.81 MMP2 (0.41) LMNATHRBMMP3MMP2KDM4E

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 8 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
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