SCHEMBL743224

SCHEMBL743224

CC(=O)OCc1nc(C(=O)O)cs1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MMP2 P08253 3/20 0.47
MMP13 P45452 3/20 0.47
MMP1 P03956 2/20 0.47
MMP9 P14780 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSP90AA1 P07900 1/20 0.44
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
PLA2G4A P47712 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
SCHEMBL1421532 0.83 MMP2 (0.49) MAPTNPC1RAB9AMMP2MMP13
SCHEMBL459217 0.83 RAB9A (0.56) MAPTNPC1RAB9AMMP2MMP13
SCHEMBL2115567 0.83 MAPT (0.64) MAPTNPC1RAB9AMMP13MMP1
SCHEMBL6840358 0.79 CYP1A2 (0.46) MAPTNPC1RAB9AL3MBTL1CYP1A2
SCHEMBL5637413 0.78 CYP1A2 (0.45) MAPTNPC1RAB9AL3MBTL1CYP1A2
SCHEMBL1244889 0.77 MMP1 (0.53) MAPTNPC1RAB9AMMP2MMP13
SCHEMBL13593122 0.77 CYP1A2 (0.44) MAPTNPC1RAB9AL3MBTL1CYP1A2
SCHEMBL5639344 0.75 CYP1A2 (0.43) MAPTNPC1RAB9AL3MBTL1CYP1A2
SCHEMBL2839000 0.74 MMP1 (0.54) RAB9AMMP2MMP13MMP1MMP9
SCHEMBL457576 0.74 MMP2 (0.54) MMP2MMP13MMP1MMP9L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430006-B1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-26 EP disclosed
EP-2430012-B1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-05 EP disclosed
EP-2430012-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-21 EP disclosed
EP-2430006-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-21 EP disclosed
WO-2010130944-A1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 WO disclosed
WO-2010130945-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 WO disclosed