SCHEMBL6574083

SCHEMBL6574083

CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)NC(=O)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLG P00747 5/20 0.53
PRSS1 P07477 5/20 0.53
PRSS2 P07478 5/20 0.53
PRSS3 P35030 5/20 0.53
TACR2 P21452 8/20 0.49
FOLH1 Q04609 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM3 P20309 1/20 0.47
TAOK1 Q7L7X3 1/20 0.47
TAOK3 Q9H2K8 1/20 0.47
KLKB1 P03952 1/20 0.46
FPR2 P25090 1/20 0.46
PTPN1 P18031 2/20 0.45
PTPN22 Q9Y2R2 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
SCHEMBL6574088 1.00 PLG (0.53) PLGPRSS1PRSS2PRSS3TACR2
SCHEMBL6573535 0.92 PLG (0.49) PLGPRSS1PRSS2PRSS3TACR2
SCHEMBL6573531 0.92 PLG (0.49) PLGPRSS1PRSS2PRSS3TACR2
SCHEMBL6575564 0.89 PLG (0.52) PLGPRSS1PRSS2PRSS3TACR2
SCHEMBL6571390 0.84 KLKB1 (0.51) PLGPRSS1PRSS2PRSS3KLKB1
SCHEMBL4315647 0.84 KLKB1 (0.56) PLGPRSS1PRSS2PRSS3FOLH1
SCHEMBL6571395 0.84 KLKB1 (0.51) PLGPRSS1PRSS2PRSS3KLKB1
SCHEMBL4315645 0.84 KLKB1 (0.56) PLGPRSS1PRSS2PRSS3FOLH1
SCHEMBL6571743 0.84 KLKB1 (0.56) PLGPRSS1PRSS2PRSS3FOLH1
SCHEMBL6572641 0.83 KLKB1 (0.53) PLGPRSS1PRSS2PRSS3FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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