SCHEMBL6575564

SCHEMBL6575564

CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)NC(=O)Nc1cccc(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLG P00747 3/20 0.52
PRSS1 P07477 3/20 0.52
PRSS2 P07478 3/20 0.52
PRSS3 P35030 3/20 0.52
PTPN1 P18031 7/20 0.48
PTPN22 Q9Y2R2 2/20 0.48
KLKB1 P03952 1/20 0.47
TACR2 P21452 4/20 0.46
NR1H4 Q96RI1 2/20 0.46
FOLH1 Q04609 1/20 0.46
ITGB3 P05106 1/20 0.44
ITGAV P06756 1/20 0.44

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
SCHEMBL6573535 0.92 PLG (0.49) PLGPRSS1PRSS2PRSS3PTPN1
SCHEMBL6573531 0.92 PLG (0.49) PLGPRSS1PRSS2PRSS3PTPN1
SCHEMBL6574083 0.89 PLG (0.53) PLGPRSS1PRSS2PRSS3PTPN1
SCHEMBL6574088 0.89 PLG (0.53) PLGPRSS1PRSS2PRSS3PTPN1
SCHEMBL4315645 0.82 KLKB1 (0.56) PLGPRSS1PRSS2PRSS3PTPN1
SCHEMBL6571743 0.82 KLKB1 (0.56) PLGPRSS1PRSS2PRSS3PTPN1
SCHEMBL4315647 0.82 KLKB1 (0.56) PLGPRSS1PRSS2PRSS3PTPN1
SCHEMBL6571395 0.81 KLKB1 (0.51) PLGPRSS1PRSS2PRSS3PTPN1
SCHEMBL6571390 0.81 KLKB1 (0.51) PLGPRSS1PRSS2PRSS3PTPN1
SCHEMBL6575231 0.80 PTPN1 (0.54) PTPN1PTPN22

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