SCHEMBL6827889

SCHEMBL6827889

CN(Cc1ccccc1)C(=O)[C@@H](CNC(=O)OC(C)(C)C)c1ccc(NS(=O)(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 13/20 0.46
PTPN11 Q06124 1/20 0.43
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPRA P18433 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
SYK P43405 1/20 0.41
AKT1 P31749 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL6827716 0.91 PTPRB (0.46) PTPRBPTPN11CTSLCTSBCTSS
SCHEMBL6830761 0.86 PTPRB (0.44) PTPRBCA1
SCHEMBL6832611 0.85 MEN1 (0.47) CTSLCTSBCTSSMEN1LMNA
SCHEMBL6830844 0.83 PTPRB (0.49) PTPRBPTPN2PTPN1PTPRAMEN1
SCHEMBL6830827 0.83 PTPRB (0.49) PTPRBPTPN2PTPN1PTPRAMEN1
SCHEMBL6239859 0.81 MEN1 (0.46) CTSLCTSBCTSSMEN1LMNA
SCHEMBL6831658 0.81 PTPRB (0.47) PTPRBPTPN11CTSSPTPN2PTPN1
SCHEMBL6827733 0.80 KDM4A (0.47) PTPRBPTPN2PTPN1PTPRAKMT2A
SCHEMBL6801847 0.80 PTPRB (0.64) PTPRBCTSLCTSBCTSS
SCHEMBL6801845 0.80 PTPRB (0.64) PTPRBCTSLCTSBCTSS

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