SCHEMBL6571374

SCHEMBL6571374

CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCNC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.58
PTPN22 Q9Y2R2 2/20 0.56
PTPRA P18433 1/20 0.51
KLKB1 P03952 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
PSMB1 P20618 2/20 0.48
PSMB5 P28074 2/20 0.48
PSMB2 P49721 2/20 0.48

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
SCHEMBL6571465 0.92 PTPN1 (0.65) PTPN1PTPN22PTPRAKLKB1
SCHEMBL6574908 0.87 PTPN1 (0.66) PTPN1KLKB1CHRNB2CHRNB4CHRNA3
SCHEMBL6572625 0.87 PTPN1 (0.67) PTPN1PTPN22PTPRA
SCHEMBL6572629 0.87 PTPN1 (0.67) PTPN1PTPN22PTPRA
SCHEMBL6573532 0.87 PTPN1 (0.60) PTPN1PTPN22PTPRAKLKB1PSMB5
SCHEMBL7673630 0.87 PTPN1 (0.62) PTPN1PTPN22PTPRA
SCHEMBL6575040 0.86 PTPN1 (0.65) PTPN1PTPN22PTPRA
SCHEMBL6572831 0.85 PTPN1 (0.64) PTPN1PTPN22PTPRA
SCHEMBL6575293 0.85 PTPN1 (0.55) PTPN1PTPN22KLKB1CHRNB2CHRNB4
SCHEMBL6572795 0.85 PTPN1 (0.61) PTPN1PTPN22PTPRA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6353023-B1 AROMATIC COMPOUNDS WITH AMIDE GROUPS PHARMACIA & UPJOHN COMPANY 2002-03-05 US claimed
EP-1019364-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PHARMACIA & UPJOHN COMPANY (US) 2000-07-19 EP claimed
WO-1999011606-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PHARMACIA & UPJOHN COMPANY (US) 1999-03-11 WO claimed
EP-1019364-B1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE BIOVITRUM AB (SE) 2004-06-09 EP disclosed
US-6410585-B1 THERAPY FOR NON-INSULIN DEPEND DIABETES BIOVITRUM AB (SE) 2002-06-25 US disclosed
US-6353023-B1 AROMATIC COMPOUNDS WITH AMIDE GROUPS PHARMACIA & UPJOHN COMPANY 2002-03-05 US disclosed
EP-1019364-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PHARMACIA & UPJOHN COMPANY (US) 2000-07-19 EP disclosed
WO-1999011606-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE PHARMACIA & UPJOHN COMPANY (US) 1999-03-11 WO disclosed