SCHEMBL4634747

SCHEMBL4634747

O=C(O)Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)cc3)S2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 10/20 0.52
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
NLRP3 Q96P20 1/20 0.44
NR1H4 Q96RI1 1/20 0.41
KMT2A Q03164 2/20 0.41
ENPP2 Q13822 1/20 0.41
PTPN1 P18031 1/20 0.40
ACP1 P24666 1/20 0.40
PTPN22 Q9Y2R2 2/20 0.39
PTPN12 Q05209 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 1/20 0.39
PSMD14 O00487 1/20 0.39
BLM P54132 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 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
SCHEMBL4634749 1.00 ALOX5 (0.52) ALOX5GSK3AGSK3BNLRP3NR1H4
SCHEMBL4127928 0.92 ALOX5 (0.53) ALOX5GSK3AGSK3BNR1H4
SCHEMBL4127925 0.92 ALOX5 (0.53) ALOX5GSK3AGSK3BNR1H4
SCHEMBL4132445 0.91 FFAR1 (0.47) ALOX5NR1H4
SCHEMBL4132443 0.91 FFAR1 (0.47) ALOX5NR1H4
SCHEMBL4122528 0.90 ALOX5 (0.46) ALOX5KMT2APTPN1ACP1PTPN22
SCHEMBL4122531 0.90 ALOX5 (0.46) ALOX5KMT2APTPN1ACP1PTPN22
SCHEMBL4635275 0.89 ALOX5 (0.42) ALOX5GSK3BNR1H4KMT2APTPN22
SCHEMBL4133988 0.87 PDE4B (0.44) ALOX5PTPN1PTPN22TDP1
SCHEMBL4131357 0.87 ALOX5 (0.40) ALOX5KMT2APTPN22MEN1

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