SCHEMBL6830761

SCHEMBL6830761

CN(C)C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(NS(=O)(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 19/20 0.44
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL6831647 0.86 PTPRB (0.45) PTPRB
SCHEMBL6827827 0.86 PTPRB (0.45) PTPRB
SCHEMBL6827889 0.86 PTPRB (0.46) PTPRBCA1
SCHEMBL6827716 0.84 PTPRB (0.46) PTPRBCA1
SCHEMBL1932821 0.82 SYK (0.47) CA1
SCHEMBL6831658 0.81 PTPRB (0.47) PTPRBCA1CA2
SCHEMBL6831629 0.81 PTPRB (0.46) PTPRBCA1CA2
SCHEMBL6832666 0.81 PTPRB (0.46) PTPRBCA1CA2
SCHEMBL6827725 0.81 PTPRB (0.46) PTPRBCA1CA2
SCHEMBL6830827 0.80 PTPRB (0.49) PTPRBCA1CA2

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-2004074238-A1 PHENETHYLAMINO SULFAMIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 2004-09-02 WO claimed
WO-2004074238-A1 PHENETHYLAMINO SULFAMIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 2004-09-02 WO disclosed