SCHEMBL4634772

SCHEMBL4634772

CCOC(=O)c1ccc(COc2cc3ccccc3cc2C=C2SC(Nc3ccc(CCCCC(=O)O)c(F)c3)=NC2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.36
ERBB3 P21860 1/20 0.36
PTP4A3 O75365 4/20 0.36
PPIA P62937 1/20 0.36
CISD1 Q9NZ45 1/20 0.35
PPARG P37231 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYSLTR1 Q9Y271 2/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTPN12 Q05209 1/20 0.33
PTPN1 P18031 2/20 0.33
DHODH Q02127 1/20 0.33

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
SCHEMBL4132551 0.85 PTP4A3 (0.37) EGFRPTP4A3PPIACISD1POLB
SCHEMBL4132553 0.85 PTP4A3 (0.37) EGFRPTP4A3PPIACISD1POLB
SCHEMBL4134460 0.83 PTP4A3 (0.36) EGFRPTP4A3PPIACISD1POLB
SCHEMBL4134464 0.83 PTP4A3 (0.36) EGFRPTP4A3PPIACISD1POLB
SCHEMBL4137639 0.79 PTP4A3 (0.51) PTP4A3CISD1PPARGPOLBPTPN1
SCHEMBL4137638 0.79 PTP4A3 (0.51) PTP4A3CISD1PPARGPOLBPTPN1
SCHEMBL4133914 0.77 EGFR (0.39) EGFRPPIAMEN1KMT2APTPN1
SCHEMBL4133912 0.77 EGFR (0.39) EGFRPPIAMEN1KMT2APTPN1
SCHEMBL4131686 0.76 MEN1 (0.45) PTP4A3CISD1PPARGPOLBMEN1
SCHEMBL4131690 0.76 MEN1 (0.45) PTP4A3CISD1PPARGPOLBMEN1

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 2 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