SCHEMBL4054728

SCHEMBL4054728

CCc1ccc(COc2ccc(/C=C3\S/C(=N/c4ccc(CC(=O)O)cc4)N(CC)C3=O)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 0.64
ACP1 P24666 10/20 0.64
PTPN2 P17706 5/20 0.63
AURKA O14965 1/20 0.61
ITGB3 P05106 1/20 0.59
ITGAV P06756 1/20 0.59
MGAM O43451 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
AKR1B1 P15121 1/20 0.52

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
SCHEMBL4054732 1.00 PTPN1 (0.64) PTPN1ACP1PTPN2AURKAITGB3
SCHEMBL4053512 0.91 PTPN1 (0.61) PTPN1ACP1PTPN2AURKAITGB3
SCHEMBL4053511 0.91 PTPN1 (0.61) PTPN1ACP1PTPN2AURKAITGB3
SCHEMBL4057079 0.90 PTPN1 (0.76) PTPN1ACP1PTPN2AURKA
SCHEMBL4057081 0.90 PTPN1 (0.76) PTPN1ACP1PTPN2AURKA
SCHEMBL4051012 0.88 PTPN1 (0.83) PTPN1ACP1PTPN2AURKAITGB3
SCHEMBL4051017 0.88 PTPN1 (0.83) PTPN1ACP1PTPN2AURKAITGB3
SCHEMBL4051497 0.88 PTPN1 (0.68) PTPN1ACP1PTPN2AURKAITGB3
SCHEMBL4051498 0.88 PTPN1 (0.68) PTPN1ACP1PTPN2AURKAITGB3
SCHEMBL4225045 0.82 PTPN1 (0.73) PTPN1ACP1PTPN2AURKAITGB3

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