SCHEMBL7673328

SCHEMBL7673328

CCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)O)c(C(=O)O)c1)NC(=O)c1cnc(Cl)c(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.68
KLKB1 P03952 1/20 0.49
KLK1 P06870 1/20 0.49

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 0.82 PTPN1 (0.62) PTPN1
SCHEMBL6572497 0.81 PTPN1 (1.00) PTPN1
SCHEMBL6573753 0.81 PTPN1 (1.00) PTPN1
SCHEMBL7675512 0.80 PTPN1 (0.63) PTPN1
SCHEMBL7679773 0.80 PTPN1 (0.64) PTPN1
SCHEMBL7679794 0.79 PTPN1 (0.60) PTPN1
SCHEMBL6571540 0.78 PTPN1 (0.84) PTPN1
SCHEMBL6572915 0.78 PTPN1 (0.95) PTPN1
SCHEMBL4651225 0.78 PTPN1 (0.69) PTPN1
SCHEMBL6572803 0.78 PTPN1 (0.92) PTPN1KLKB1

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