SCHEMBL7049158

SCHEMBL7049158

COC(=O)N[C@@H](Cc1ccc(N(C(=O)C(=O)OCc2ccccc2)c2ccccc2C(=O)OC(c2ccccc2)c2ccccc2)cc1)C(=O)NCCCCOc1cc2ccccc2c(O)c1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 20/20 0.59
▸ PTPRA P18433 9/20 0.51
▸ PTPN2 P17706 5/20 0.51
▸ PTPRF P10586 2/20 0.51
▸ PTPN22 Q9Y2R2 1/20 0.41

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
SCHEMBL6494639 0.96 PTPN1 (0.61) PTPN1PTPRAPTPN2PTPRFPTPN22
SCHEMBL6491908 0.88 PTPN1 (0.75) PTPN1PTPRAPTPN2PTPRFPTPN22
SCHEMBL6501715 0.87 PTPN1 (0.69) PTPN1PTPRAPTPN2PTPRFPTPN22
SCHEMBL7519706 0.86 PTPN1 (0.74) PTPN1PTPRAPTPN2PTPRF
SCHEMBL6491517 0.83 PTPN1 (0.78) PTPN1PTPRAPTPN2PTPRF
SCHEMBL6500750 0.79 PTPN1 (0.43) PTPN1PTPRA
SCHEMBL6492473 0.79 PTPN1 (0.43) PTPN1PTPRA
SCHEMBL7054441 0.77 PTPN1 (0.71) PTPN1PTPRAPTPN2
SCHEMBL7054436 0.77 PTPN1 (0.71) PTPN1PTPRAPTPN2
SCHEMBL7259511 0.76 PTPN1 (0.83) PTPN1PTPRAPTPN2PTPRF

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003020688-A1 SELECTIVE PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-03-13 — — WO disclosed
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