SCHEMBL7789767

SCHEMBL7789767

CCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)O)c(C(=O)O)c1)NC(=O)[C@H](Cc1ccccc1)NCOc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 17/20 0.81
KLKB1 P03952 1/20 0.49
PLG P00747 2/20 0.47
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
PTPN22 Q9Y2R2 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
SCHEMBL6572803 0.90 PTPN1 (0.92) PTPN1KLKB1
SCHEMBL7673798 0.89 PTPN1 (1.00) PTPN1KLKB1PTPN22
SCHEMBL6571540 0.89 PTPN1 (0.84) PTPN1
SCHEMBL4317420 0.88 PTPN1 (1.00) PTPN1
SCHEMBL4317427 0.88 PTPN1 (1.00) PTPN1
SCHEMBL6571416 0.87 PTPN1 (0.87) PTPN1
SCHEMBL6572617 0.87 PTPN1 (0.87) PTPN1KLKB1
SCHEMBL6574724 0.87 PTPN1 (1.00) PTPN1
SCHEMBL6571565 0.86 PTPN1 (1.00) PTPN1KLKB1
SCHEMBL6572512 0.86 PTPN1 (0.88) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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