SCHEMBL6572881

SCHEMBL6572881

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

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.53
PTPN1 P18031 12/20 0.49
PLG P00747 4/20 0.49
PRSS1 P07477 3/20 0.49
PRSS2 P07478 3/20 0.49
PRSS3 P35030 3/20 0.49
ITGB3 P05106 2/20 0.48
ITGA2B P08514 1/20 0.48
PTPN22 Q9Y2R2 1/20 0.46
ITGAV P06756 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
SCHEMBL6572379 0.91 PTPN1 (0.54) KLKB1PTPN1PLGPRSS1PRSS2
SCHEMBL4650875 0.86 PTPN1 (0.47) KLKB1PTPN1PLGPRSS1PRSS2
SCHEMBL4315645 0.84 KLKB1 (0.56) KLKB1PTPN1PLGPRSS1PRSS2
SCHEMBL6571743 0.84 KLKB1 (0.56) KLKB1PTPN1PLGPRSS1PRSS2
SCHEMBL4315647 0.84 KLKB1 (0.56) KLKB1PTPN1PLGPRSS1PRSS2
SCHEMBL6574908 0.84 PTPN1 (0.66) KLKB1PTPN1PLGPRSS1PRSS2
SCHEMBL6571693 0.83 KLKB1 (0.56) KLKB1PTPN1PLGPRSS1PRSS2
SCHEMBL6571465 0.83 PTPN1 (0.65) KLKB1PTPN1PTPN22
SCHEMBL6575293 0.82 PTPN1 (0.55) KLKB1PTPN1PLGPRSS1PRSS2
SCHEMBL4650952 0.82 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-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