SCHEMBL7050875

SCHEMBL7050875

COC(=O)N[C@@H](Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)cc1)C(=O)NCCCCOc1cc(Cl)cc(O)c1C(=O)O

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 20/20 0.79
▸ PTPRA P18433 11/20 0.69
▸ PTPN2 P17706 3/20 0.65
▸ PTPRF P10586 1/20 0.65

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
SCHEMBL6493896 0.96 PTPN1 (0.86) PTPN1PTPRAPTPN2PTPRF
SCHEMBL7117630 0.92 PTPN1 (0.92) PTPN1PTPRAPTPN2PTPRF
SCHEMBL7259511 0.92 PTPN1 (0.83) PTPN1PTPRAPTPN2PTPRF
SCHEMBL7254530 0.90 PTPN1 (0.78) PTPN1PTPRAPTPN2PTPRF
SCHEMBL6504012 0.88 PTPN1 (0.90) PTPN1PTPRAPTPN2PTPRF
SCHEMBL6500055 0.88 PTPN1 (0.87) PTPN1PTPRAPTPN2PTPRF
SCHEMBL6505762 0.88 PTPN1 (1.00) PTPN1PTPRAPTPN2PTPRF
SCHEMBL7519706 0.87 PTPN1 (0.74) PTPN1PTPRAPTPN2PTPRF
SCHEMBL6504066 0.86 PTPN1 (0.85) PTPN1PTPRAPTPN2PTPRF
SCHEMBL6503579 0.85 PTPN1 (0.82) 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 claimed
Send feedback