SCHEMBL4668224

SCHEMBL4668224

CC(C(=O)O)c1ccc(NC2=NC(=O)C(=Cc3ccc4ccccc4c3)S2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.46
AKR1B1 P15121 2/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
SGK1 O00141 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PIM1 P11309 1/20 0.38
RAB9A P51151 1/20 0.38
PTPN1 P18031 1/20 0.37
ACP1 P24666 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4668220 1.00 ALOX5 (0.46) ALOX5AKR1B1AKR1C3AKR1C2SGK1
SCHEMBL4143920 0.87 PTGS2 (0.49) ALOX5MEN1KMT2AHTTALDH1A1
SCHEMBL4143915 0.87 PTGS2 (0.49) ALOX5MEN1KMT2AHTTALDH1A1
SCHEMBL27739331 0.85 ALOX5 (0.46) ALOX5MEN1KMT2APIM1RAB9A
Acetic Acid SCHEMBL4132772 0.84 ALOX5 (0.47) ALOX5AKR1B1MEN1KMT2APIM1
Acetic Acid SCHEMBL4132773 0.84 ALOX5 (0.47) ALOX5AKR1B1MEN1KMT2APIM1
SCHEMBL4127367 0.82 ALOX5 (0.51) ALOX5MEN1KMT2APIM1RAB9A
SCHEMBL4127370 0.82 ALOX5 (0.51) ALOX5MEN1KMT2APIM1RAB9A
SCHEMBL4140263 0.82 ALOX5 (0.47) ALOX5AKR1B1MEN1KMT2APIM1
SCHEMBL4140267 0.82 ALOX5 (0.47) ALOX5AKR1B1MEN1KMT2APIM1

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
CN-101268060-A Thiazolinone and oxazolinone compounds and application thereof as PTP1B inhibitor TORRENT PHARMACEUTICALS LTD (IN) 2008-09-17 CN claimed
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
CN-101268060-A Thiazolinone and oxazolinone compounds and application thereof as PTP1B inhibitor TORRENT PHARMACEUTICALS LTD (IN) 2008-09-17 CN disclosed