SCHEMBL6572430

SCHEMBL6572430

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.49
PTPN1 P18031 8/20 0.47
PTPN22 Q9Y2R2 1/20 0.46
GRIA1 P42261 1/20 0.44
FOLH1 Q04609 1/20 0.43
PLG P00747 2/20 0.43
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
CHRND Q07001 5/20 0.43
CHRNA1 P02708 1/20 0.43
CHRNG P07510 1/20 0.43
CHRNB1 P11230 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL6571390 0.96 KLKB1 (0.51) KLKB1PTPN1PTPN22GRIA1PLG
SCHEMBL6571395 0.96 KLKB1 (0.51) KLKB1PTPN1PTPN22GRIA1PLG
SCHEMBL6572644 0.87 KLKB1 (0.53) KLKB1PTPN1PTPN22GRIA1FOLH1
SCHEMBL6572641 0.87 KLKB1 (0.53) KLKB1PTPN1PTPN22GRIA1FOLH1
SCHEMBL6573487 0.87 KLKB1 (0.56) KLKB1PTPN1PTPN22GRIA1PLG
SCHEMBL6573491 0.87 KLKB1 (0.56) KLKB1PTPN1PTPN22GRIA1PLG
SCHEMBL6575213 0.86 PTPN1 (0.54) PTPN1PTPN22GRIA1CHRNDCHRNA1
SCHEMBL6575231 0.86 PTPN1 (0.54) PTPN1PTPN22GRIA1CHRNDCHRNA1
SCHEMBL6571434 0.84 PTPN1 (0.62) PTPN1GRIA1CHRNDCHRNA1CHRNG
SCHEMBL4315647 0.84 KLKB1 (0.56) KLKB1PTPN1PTPN22FOLH1PLG

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