SCHEMBL7679773

SCHEMBL7679773

O=C(O)COc1ccc(C[C@H](NC(=O)c2ccc(Cl)cc2)C(=O)NCCCCc2ccccc2)cc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.64
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CTSB P07858 2/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
GRB2 P62993 1/20 0.45

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
SCHEMBL7675512 0.97 PTPN1 (0.63) PTPN1LMNAL3MBTL1MAPTMEN1
SCHEMBL7671358 0.97 PTPN1 (0.62) PTPN1LMNAL3MBTL1MAPTMEN1
SCHEMBL4651225 0.94 PTPN1 (0.69) PTPN1KMT2ACTSBCTSVCTSL
SCHEMBL7680012 0.89 PTPN1 (0.56) PTPN1LMNAL3MBTL1MAPTMEN1
SCHEMBL7677516 0.87 PTPN1 (0.63) PTPN1GRB2
SCHEMBL7680767 0.86 PTPN1 (0.62) PTPN1MEN1KMT2ACTSBCTSV
SCHEMBL4651199 0.84 PTPN1 (0.57) PTPN1L3MBTL1KMT2ACTSBCTSV
SCHEMBL4650909 0.84 PTPN1 (0.55) PTPN1L3MBTL1KMT2ACTSBCTSV
SCHEMBL7679794 0.83 PTPN1 (0.60) PTPN1MEN1KMT2ACTSLCTSS
SCHEMBL7677841 0.81 PTPN1 (0.54) PTPN1LMNAL3MBTL1MAPTMEN1

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 4 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