SCHEMBL7677841

SCHEMBL7677841

O=C(O)COc1ccc(C[C@H](NS(=O)(=O)/C=C/c2ccccc2)C(=O)NCCCCc2ccc(Cl)cc2)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.54
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GRB2 P62993 2/20 0.40
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38

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
SCHEMBL7677844 1.00 PTPN1 (0.54) PTPN1POLBL3MBTL1LMNAALDH1A1
SCHEMBL7675512 0.82 PTPN1 (0.63) PTPN1L3MBTL1LMNAALDH1A1MAPT
SCHEMBL4650251 0.81 PTPN1 (0.62) PTPN1L3MBTL1LMNAALDH1A1MAPT
SCHEMBL7679773 0.81 PTPN1 (0.64) PTPN1L3MBTL1LMNAALDH1A1MAPT
SCHEMBL7671358 0.80 PTPN1 (0.62) PTPN1L3MBTL1LMNAALDH1A1MAPT
SCHEMBL7678039 0.80 PTPN1 (0.52) PTPN1L3MBTL1LMNAALDH1A1MAPT
SCHEMBL4651320 0.80 PTPN1 (0.60) PTPN1
SCHEMBL4651102 0.79 PTPN1 (0.61) PTPN1ALDH1A1MAPTGRB2
SCHEMBL4651225 0.76 PTPN1 (0.69) PTPN1KMT2AGRB2
SCHEMBL7680012 0.75 PTPN1 (0.56) PTPN1L3MBTL1LMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002539115-A 2002-11-19 JP claimed
EP-1161421-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE Pharmacia & Upjohn Aktiebolag (SE) 2001-12-12 EP claimed
WO-2000053583-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE BIOVITRUM AB (SE) 2000-09-14 WO claimed
US-6410585-B1 THERAPY FOR NON-INSULIN DEPEND DIABETES BIOVITRUM AB (SE) 2002-06-25 US disclosed
EP-1161421-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE Pharmacia & Upjohn Aktiebolag (SE) 2001-12-12 EP disclosed
WO-2000053583-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE BIOVITRUM AB (SE) 2000-09-14 WO disclosed