SCHEMBL4053602

SCHEMBL4053602

CN1C(=O)/C(=C/c2ccc(OCc3ccc(C4CCCCC4)cc3)cc2)S/C1=N/c1ccc(NC(=O)C(=O)O)cc1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.80
DUSP26 Q9BV47 3/20 0.52
ACP1 P24666 4/20 0.47
PTPN2 P17706 2/20 0.47
AURKA O14965 5/20 0.43
AURKB Q96GD4 4/20 0.43
INCENP Q9NQS7 4/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MGAM O43451 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42

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
SCHEMBL13689587 1.00 PTPN1 (0.80) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4053603 1.00 PTPN1 (0.80) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4052846 0.92 PTPN1 (0.73) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4052850 0.92 PTPN1 (0.73) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4056339 0.89 PTPN1 (0.83) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4056340 0.89 PTPN1 (0.83) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL13689596 0.89 PTPN1 (0.83) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4056109 0.87 PTPN1 (0.83) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4056110 0.87 PTPN1 (0.83) PTPN1DUSP26ACP1PTPN2AURKA
SCHEMBL4053691 0.86 PTPN1 (0.81) 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