SCHEMBL7673798

SCHEMBL7673798

CCCCCNC(=O)[C@H](Cc1ccc(OCC(=O)O)c(C(=O)O)c1)NC(=O)[C@H](Cc1ccccc1)NC(=O)Oc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 19/20 1.00
PTPN22 Q9Y2R2 1/20 0.49
KLKB1 P03952 1/20 0.47
PTPRA P18433 1/20 0.47

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 0.91 PTPN1 (0.92) PTPN1KLKB1
SCHEMBL14586382 0.91 PTPN1 (0.83) PTPN1PTPN22KLKB1PTPRA
SCHEMBL6571540 0.90 PTPN1 (0.84) PTPN1PTPRA
SCHEMBL7789767 0.89 PTPN1 (0.81) PTPN1PTPN22KLKB1
SCHEMBL6575372 0.89 PTPN1 (1.00) PTPN1PTPN22PTPRA
SCHEMBL4317427 0.88 PTPN1 (1.00) PTPN1
SCHEMBL4317420 0.88 PTPN1 (1.00) PTPN1
SCHEMBL6571416 0.88 PTPN1 (0.87) PTPN1
SCHEMBL6572617 0.88 PTPN1 (0.87) PTPN1KLKB1
SCHEMBL6574724 0.88 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