SCHEMBL4053512

SCHEMBL4053512

CCN1C(=O)C(=Cc2ccc(OCc3ccc(C(C)C)cc3)cc2)SC1=Nc1ccc(CC(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.61
ACP1 P24666 11/20 0.61
PTPN2 P17706 6/20 0.60
ITGB3 P05106 1/20 0.56
ITGAV P06756 1/20 0.56
CA9 Q16790 2/20 0.54
AURKA O14965 1/20 0.51
MGAM O43451 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51

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
SCHEMBL4053511 1.00 PTPN1 (0.61) PTPN1ACP1PTPN2ITGB3ITGAV
SCHEMBL4054728 0.91 PTPN1 (0.64) PTPN1ACP1PTPN2ITGB3ITGAV
SCHEMBL4054732 0.91 PTPN1 (0.64) PTPN1ACP1PTPN2ITGB3ITGAV
SCHEMBL4049525 0.90 PTPN1 (0.73) PTPN1ACP1PTPN2ITGB3ITGAV
SCHEMBL4049524 0.90 PTPN1 (0.73) PTPN1ACP1PTPN2ITGB3ITGAV
SCHEMBL4051012 0.85 PTPN1 (0.83) PTPN1ACP1PTPN2ITGB3ITGAV
SCHEMBL4051498 0.85 PTPN1 (0.68) PTPN1ACP1PTPN2ITGB3ITGAV
SCHEMBL4051497 0.85 PTPN1 (0.68) PTPN1ACP1PTPN2ITGB3ITGAV
SCHEMBL4051017 0.85 PTPN1 (0.83) PTPN1ACP1PTPN2ITGB3ITGAV
SCHEMBL4057081 0.82 PTPN1 (0.76) PTPN1ACP1PTPN2AURKA

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