SCHEMBL5178707

SCHEMBL5178707

O=C(O)CC(NS(=O)(=O)c1ccccc1)C(=O)OC(=O)C(CC(=O)O)NS(=O)(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 3/20 0.52
MMP9 P14780 7/20 0.50
MMP8 P22894 2/20 0.50
MMP13 P45452 2/20 0.50
CASP1 P29466 1/20 0.50
MMP2 P08253 8/20 0.48
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
EEF2K O00418 3/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL31128480 0.89 ADAMTS4 (0.55) ADAMTS4MMP9MMP8MMP13CASP1
SCHEMBL713304 0.85 MMP9 (0.61) ADAMTS4MMP9MMP8MMP13MMP2
SCHEMBL698080 0.85 MMP9 (0.61) ADAMTS4MMP9MMP8MMP13MMP2
SCHEMBL698079 0.85 MMP9 (0.61) ADAMTS4MMP9MMP8MMP13MMP2
SCHEMBL8492008 0.78 MMP9 (0.74) ADAMTS4MMP9MMP8MMP13MMP2
SCHEMBL8485346 0.78 MMP9 (0.74) ADAMTS4MMP9MMP8MMP13MMP2
SCHEMBL31128449 0.78 MMP2 (0.51) ADAMTS4MMP9MMP8MMP13MMP2
SCHEMBL28554116 0.77 GAA (0.55) ADAMTS4MMP9MMP8MMP13MMP2
SCHEMBL30988968 0.77 GAA (0.55) ADAMTS4MMP9MMP8MMP13MMP2
SCHEMBL7376542 0.76 SLC1A3 (0.57) ADAMTS4MMP9MMP8MMP13MMP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1236716-B1 Methods for making optically active 3-aminopyrrolidine-2,5-dione derivative and optically active 3-aminopyrrolidine derivative TORAY FINECHEMICALS CO LTD (JP) 2007-04-11 EP disclosed
EP-1236716-A1 Methods for making optically active 3-aminopyrrolidine-2,5-dione derivative and optically active 3-aminopyrrolidine derivative TORAY INDUSTRIES, INC. (JP) 2002-09-04 EP disclosed
US-6348600-B1 CYCLIZING OPTICALLY ACTIVE ASPARAGINE ESTER DERIVATIVE OR ACID SALT THEREOF BY DISSOLVING COMPOUND IN SOLVENT TORAY INDUSTRIES, INC. (JP) 2002-02-19 US disclosed