SCHEMBL7054441

SCHEMBL7054441

CCc1cc(CC(NC(C)=O)C(=O)NCCCCOc2ccc(Br)c(O)c2C(=O)O)ccc1N(C(=O)C(=O)OCc1ccccc1)c1ccccc1C(=O)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 20/20 0.71
▸ PTPRA P18433 9/20 0.71
▸ PTPN2 P17706 9/20 0.60

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
SCHEMBL7054436 1.00 PTPN1 (0.71) PTPN1PTPRAPTPN2
SCHEMBL6493779 0.96 PTPN1 (0.76) PTPN1PTPRAPTPN2
SCHEMBL6493771 0.96 PTPN1 (0.76) PTPN1PTPRAPTPN2
SCHEMBL6490951 0.88 PTPN1 (0.74) PTPN1PTPRAPTPN2
SCHEMBL6500914 0.83 PTPN1 (1.00) PTPN1PTPRAPTPN2
SCHEMBL6500915 0.83 PTPN1 (1.00) PTPN1PTPRAPTPN2
SCHEMBL6503290 0.81 PTPN1 (0.55) PTPN1PTPRAPTPN2
SCHEMBL6503288 0.81 PTPN1 (0.55) PTPN1PTPRAPTPN2
SCHEMBL6502040 0.79 PTPN1 (0.70) PTPN1PTPRAPTPN2
SCHEMBL6496144 0.77 PTPN1 (1.00) PTPN1PTPRAPTPN2

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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