SCHEMBL4059246

SCHEMBL4059246

COc1cc(C=C2SC(=Nc3ccc(CC(=O)O)cc3)N(C)C2=O)ccc1OCc1ccc(C2CCCCC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 7/20 0.78
▸ AKR1B1 P15121 3/20 0.57
▸ MAPT P10636 3/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ POLB P06746 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ PTPN2 P17706 4/20 0.54
▸ ACP1 P24666 4/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ ITGB3 P05106 1/20 0.48
▸ ITGAV P06756 1/20 0.48
▸ ENPP2 Q13822 2/20 0.45
▸ DUSP26 Q9BV47 1/20 0.45
▸ PPARG P37231 1/20 0.44
▸ PPARD Q03181 1/20 0.44
▸ PPARA Q07869 1/20 0.44

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
SCHEMBL4059244 1.00 PTPN1 (0.78) PTPN1AKR1B1MAPTMEN1KMT2A
SCHEMBL4051528 0.91 PTPN1 (0.78) PTPN1AKR1B1MAPTMEN1KMT2A
SCHEMBL4051524 0.91 PTPN1 (0.78) PTPN1AKR1B1MAPTMEN1KMT2A
SCHEMBL4056778 0.80 PTPN1 (0.81) PTPN1PTPN2ACP1ITGB3ITGAV
SCHEMBL4056775 0.80 PTPN1 (0.81) PTPN1PTPN2ACP1ITGB3ITGAV
SCHEMBL4053361 0.80 PTPN1 (0.74) PTPN1ITGB3ITGAV
SCHEMBL4053358 0.80 PTPN1 (0.74) PTPN1ITGB3ITGAV
SCHEMBL4057978 0.79 PTPN1 (0.78) PTPN1MAPTPTPN2ACP1ITGB3
SCHEMBL4057982 0.79 PTPN1 (0.78) PTPN1MAPTPTPN2ACP1ITGB3
SCHEMBL4056339 0.79 PTPN1 (0.83) PTPN1PTPN2ACP1ITGB3ITGAV

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
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