SCHEMBL6207083

SCHEMBL6207083

CS(=O)(=O)c1cc2c(cc1Sc1ccccc1)CCC2=O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.52
PTGS1 P23219 3/20 0.41
GRM5 P41594 1/20 0.39
KDM4E B2RXH2 1/20 0.39
NSD2 O96028 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 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
SCHEMBL11177396 0.81 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL6207136 0.79 PTGS2 (0.36) PTGS2PTGS1KDM4ENSD2MAPT
SCHEMBL13198633 0.79 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL11181698 0.78 CASP1 (0.45) PTGS2GRM5KDM4ENSD2MAPT
SCHEMBL11387173 0.73 PDE7A (0.52) PTGS2GRM5MAPTMAPK1
SCHEMBL10789247 0.71 MAPT (0.46) PTGS2PTGS1KDM4ENSD2MAPT
SCHEMBL6205230 0.70 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL316294 0.70 GRM5 (0.54) PTGS2GRM5
SCHEMBL8925113 0.67 CA12 (0.45)
SCHEMBL16738811 0.66 MAPT (0.53) PTGS2GRM5KDM4ENSD2MAPT

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-1098891-B1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA GMBH (DE) 2005-08-10 EP disclosed
EP-1098891-A1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2001-05-16 EP disclosed
US-6159996-A Polycyclic thiazolidin-2-ylidene amines, process for their preparation, and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-12-12 US disclosed
WO-2000004006-A1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-01-27 WO disclosed