SCHEMBL4056648

SCHEMBL4056648

CCC(CC)Oc1ccc(COc2ccc(C=C3SC(=Nc4ccc(CC(=O)O)cc4)N(C)C3=O)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.71
DUSP26 Q9BV47 3/20 0.60
ACP1 P24666 4/20 0.52
PTPN2 P17706 2/20 0.52
AURKA O14965 5/20 0.49
ITGB3 P05106 1/20 0.48
ITGAV P06756 1/20 0.48
AURKB Q96GD4 2/20 0.47
INCENP Q9NQS7 2/20 0.47
MGAM O43451 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4056644 1.00 PTPN1 (0.71) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4057081 0.91 PTPN1 (0.76) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4057079 0.91 PTPN1 (0.76) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4048414 0.90 PTPN1 (0.75) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4053753 0.90 PTPN1 (0.68) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4053754 0.90 PTPN1 (0.68) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4049524 0.88 PTPN1 (0.73) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4060687 0.88 PTPN1 (0.73) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4060684 0.88 PTPN1 (0.73) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4049525 0.88 PTPN1 (0.73) PTPN1DUSP26ACP1PTPN2AURKA

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
WO-2009109998-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO claimed
WO-2009109998-A1 NOVEL PROTEIN TYROSINE PHOSPHATASE - IB INHIBITORS LUPIN LIMITED (IN) 2009-09-11 WO disclosed