SCHEMBL7679794

SCHEMBL7679794

COc1ccc(CCCCNC(=O)[C@H](Cc2ccc(OCC(=O)O)c(C(=O)O)c2)NC(=O)c2ccc(Cl)nc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.60
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CTSL P07711 3/20 0.42
CTSS P25774 3/20 0.42
GHSR Q92847 1/20 0.41
GRB2 P62993 1/20 0.40

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
SCHEMBL7671358 0.85 PTPN1 (0.62) PTPN1MEN1KMT2AGRB2
SCHEMBL7679773 0.83 PTPN1 (0.64) PTPN1MEN1KMT2ACTSLCTSS
SCHEMBL7675512 0.82 PTPN1 (0.63) PTPN1MEN1KMT2ACTSLCTSS
SCHEMBL4651225 0.82 PTPN1 (0.69) PTPN1KMT2ACTSLCTSSGRB2
SCHEMBL7680767 0.81 PTPN1 (0.62) PTPN1MEN1KMT2ACTSLCTSS
SCHEMBL7673328 0.79 PTPN1 (0.68) PTPN1
SCHEMBL7680012 0.79 PTPN1 (0.56) PTPN1MEN1KMT2AGRB2
SCHEMBL7677516 0.77 PTPN1 (0.63) PTPN1GRB2
SCHEMBL4650968 0.76 PTPN1 (0.62) PTPN1GRB2
SCHEMBL6571565 0.75 PTPN1 (1.00) 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