SCHEMBL4677313

SCHEMBL4677313

CC(C)C(NS(=O)(=O)N1CCN(c2ccccc2OCc2ccncc2)CC1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 8/20 0.49
MMP13 P45452 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.45
NAMPT P43490 2/20 0.44
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR1A P08908 3/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GAA P10253 2/20 0.40
GFER P55789 1/20 0.40
DRD2 P14416 1/20 0.40
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
ADRA1A P35348 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
SCHEMBL4677317 1.00 ADAMTS4 (0.49) ADAMTS4MMP13SMN1; SMN2NAMPTALDH1A1
SCHEMBL4674652 0.83 ADAMTS4 (0.61) ADAMTS4MMP13
SCHEMBL4671219 0.74 ADAM17 (0.51) ADAMTS4MMP13MAPT
SCHEMBL4671221 0.74 ADAM17 (0.51) ADAMTS4MMP13MAPT
SCHEMBL13409570 0.74 MAPT (0.50) ADAMTS4MMP13SMN1; SMN2ALDH1A1GAA
SCHEMBL2385780 0.71 GPR119 (0.67) SMN1; SMN2
SCHEMBL4674790 0.70 ADAMTS4 (0.49) ADAMTS4MMP13ALDH1A1GFERMAPT
SCHEMBL4674788 0.70 ADAMTS4 (0.49) ADAMTS4MMP13ALDH1A1GFERMAPT
SCHEMBL4676848 0.70 MAPT (0.49) ADAMTS4MMP13ALDH1A1MAPT
SCHEMBL4676843 0.70 MAPT (0.49) ADAMTS4MMP13ALDH1A1MAPT

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 4 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
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