SCHEMBL7674239

SCHEMBL7674239

O=C(O)COc1ccc(C[C@H](NS(=O)(=O)c2ccccc2)C(=O)NCCCOc2ccccc2)cc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 0.57
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.43
TBXA2R P21731 1/20 0.42
TBXAS1 P24557 1/20 0.42
GRB2 P62993 2/20 0.42

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
SCHEMBL4650871 0.94 PTPN1 (0.62) PTPN1ITGB3ITGA2BALDH1A1MAPK1
SCHEMBL4651374 0.92 PTPN1 (0.56) PTPN1ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL4651102 0.90 PTPN1 (0.61) PTPN1ALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL4650251 0.90 PTPN1 (0.62) PTPN1ALDH1A1MAPTSMN1; SMN2TBXA2R
SCHEMBL4650882 0.90 PTPN1 (0.69) PTPN1
SCHEMBL4650268 0.88 PTPN1 (0.58) PTPN1TBXA2RTBXAS1GRB2
SCHEMBL4650968 0.88 PTPN1 (0.62) PTPN1TBXA2RTBXAS1GRB2
SCHEMBL4651106 0.87 PTPN1 (0.51) PTPN1GRB2
SCHEMBL4651215 0.85 PTPN1 (0.60) PTPN1ALDH1A1TBXA2RTBXAS1
SCHEMBL4651320 0.85 PTPN1 (0.60) PTPN1

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