SCHEMBL4675462

SCHEMBL4675462

NCCCC[C@@H](NS(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)NO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MMP14 P50281 3/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
MMP2 P08253 3/20 0.39
MMP9 P14780 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADAM10 O14672 1/20 0.39
ADAM17 P78536 1/20 0.39

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
SCHEMBL4675456 1.00 HDAC1 (0.41) HDAC1SMN1; SMN2MMP14ADAMTS5HDAC3
SCHEMBL4677143 0.86 SMN1; SMN2 (0.45) HDAC1SMN1; SMN2MMP14ADAMTS5HDAC3
SCHEMBL4677141 0.86 SMN1; SMN2 (0.45) HDAC1SMN1; SMN2MMP14ADAMTS5HDAC3
SCHEMBL4671098 0.84 SMN1; SMN2 (0.46) HDAC1SMN1; SMN2MMP14ADAMTS5HDAC3
SCHEMBL4671091 0.84 SMN1; SMN2 (0.46) HDAC1SMN1; SMN2MMP14ADAMTS5HDAC3
SCHEMBL4673956 0.80 MMP2 (0.62) MMP14MMP2MMP9ADAM10ADAM17
SCHEMBL4673954 0.80 MMP2 (0.62) MMP14MMP2MMP9ADAM10ADAM17
SCHEMBL7324705 0.78 MEN1 (0.49) HDAC1SMN1; SMN2MMP14ADAMTS5HDAC3
SCHEMBL8550694 0.77 MEN1 (0.48) SMN1; SMN2MMP14ADAMTS5MEN1KMT2A
SCHEMBL4674851 0.76 MMP1 (0.57) HDAC1SMN1; SMN2MMP14ADAMTS5HDAC3

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 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
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