SCHEMBL4634765

SCHEMBL4634765

COc1ccc(C=C2SC(Nc3ccc(CC(=O)O)cc3)=NC2=O)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 8/20 0.52
FABP4 P15090 2/20 0.48
NR1H4 Q96RI1 1/20 0.40
PDE4B Q07343 2/20 0.39
PTGER4 P35408 1/20 0.38
PDE4D Q08499 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL4634758 1.00 ALOX5 (0.52) ALOX5FABP4NR1H4PDE4BPTGER4
SCHEMBL4128997 0.85 ALOX5 (0.40) ALOX5FABP4NR1H4PDE4BPTGER4
SCHEMBL4128994 0.85 ALOX5 (0.40) ALOX5FABP4NR1H4PDE4BPTGER4
SCHEMBL4122284 0.84 PDE4B (0.42) ALOX5FABP4NR1H4PDE4BPDE4D
SCHEMBL4122280 0.84 PDE4B (0.42) ALOX5FABP4NR1H4PDE4BPDE4D
SCHEMBL4127737 0.80 KMT2A (0.49) ALOX5MEN1KMT2ATDP1MAPT
SCHEMBL4127729 0.80 KMT2A (0.49) ALOX5MEN1KMT2ATDP1MAPT
SCHEMBL4131441 0.80 KMT2A (0.51) ALOX5MEN1KMT2ATDP1MAPT
SCHEMBL4136345 0.80 KMT2A (0.51) ALOX5MEN1KMT2ATDP1MAPT
SCHEMBL4133860 0.79 DUSP22 (0.49) ALOX5PDE4BALDH1A1SMN1; SMN2

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-1934192-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS Torrent Pharmaceuticals Ltd (IN) 2008-06-25 EP claimed
WO-2007032028-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS TORRENT PHARMACEUTICALS LTD. (IN) 2007-03-22 WO claimed
EP-1934192-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS Torrent Pharmaceuticals Ltd (IN) 2008-06-25 EP disclosed
WO-2007032028-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS TORRENT PHARMACEUTICALS LTD. (IN) 2007-03-22 WO disclosed