SCHEMBL7678039

SCHEMBL7678039

O=C(O)COc1ccc(C[C@H](NS(=O)(=O)c2ccc(F)cc2F)C(=O)NCCCCc2ccc(Cl)cc2)cc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 0.52
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
AVPR1A P37288 1/20 0.37
GRB2 P62993 2/20 0.37

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
SCHEMBL4650251 0.81 PTPN1 (0.62) PTPN1L3MBTL1ALDH1A1LMNAMAPT
SCHEMBL7677844 0.80 PTPN1 (0.54) PTPN1L3MBTL1ALDH1A1LMNATP53
SCHEMBL7677841 0.80 PTPN1 (0.54) PTPN1L3MBTL1ALDH1A1LMNATP53
SCHEMBL7671358 0.79 PTPN1 (0.62) PTPN1L3MBTL1ALDH1A1LMNAPTGDR2
SCHEMBL4651320 0.79 PTPN1 (0.60) PTPN1
SCHEMBL4651102 0.78 PTPN1 (0.61) PTPN1ALDH1A1MAPTGRB2
SCHEMBL7675512 0.78 PTPN1 (0.63) PTPN1L3MBTL1ALDH1A1LMNATP53
SCHEMBL7679773 0.77 PTPN1 (0.64) PTPN1L3MBTL1ALDH1A1LMNAPTGDR2
SCHEMBL7680012 0.75 PTPN1 (0.56) PTPN1L3MBTL1ALDH1A1LMNAMAPT
SCHEMBL4650268 0.75 PTPN1 (0.58) PTPN1HTTGRB2

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