SCHEMBL6572379

SCHEMBL6572379

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 15/20 0.54
KLKB1 P03952 1/20 0.52
PLG P00747 2/20 0.48
PRSS1 P07477 2/20 0.48
PRSS2 P07478 2/20 0.48
PRSS3 P35030 2/20 0.48
PTPN22 Q9Y2R2 1/20 0.47
PTPN2 P17706 1/20 0.46
PTPRA P18433 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 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
SCHEMBL6572881 0.91 KLKB1 (0.53) PTPN1KLKB1PLGPRSS1PRSS2
SCHEMBL6574908 0.87 PTPN1 (0.66) PTPN1KLKB1PLGPRSS1PRSS2
SCHEMBL6571743 0.85 KLKB1 (0.56) PTPN1KLKB1PLGPRSS1PRSS2
SCHEMBL4315647 0.85 KLKB1 (0.56) PTPN1KLKB1PLGPRSS1PRSS2
SCHEMBL4315645 0.85 KLKB1 (0.56) PTPN1KLKB1PLGPRSS1PRSS2
SCHEMBL6571465 0.84 PTPN1 (0.65) PTPN1KLKB1PTPN22PTPRA
SCHEMBL6571693 0.84 KLKB1 (0.56) PTPN1KLKB1PLGPRSS1PRSS2
SCHEMBL4650875 0.84 PTPN1 (0.47) PTPN1KLKB1PLGPRSS1PRSS2
SCHEMBL6575293 0.84 PTPN1 (0.55) PTPN1KLKB1PLGPRSS1PRSS2
SCHEMBL4650952 0.83 MMP2 (0.57)

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
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