SCHEMBL6571390

SCHEMBL6571390

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.51
PTPN1 P18031 12/20 0.48
PTPN22 Q9Y2R2 2/20 0.48
PLG P00747 3/20 0.45
PRSS1 P07477 3/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45
GRIA1 P42261 1/20 0.44
CHRND Q07001 2/20 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
SCHEMBL6571395 1.00 KLKB1 (0.51) KLKB1PTPN1PTPN22PLGPRSS1
SCHEMBL6572430 0.96 KLKB1 (0.49) KLKB1PTPN1PTPN22PLGPRSS1
SCHEMBL6572644 0.91 KLKB1 (0.53) KLKB1PTPN1PTPN22PLGPRSS1
SCHEMBL6572641 0.91 KLKB1 (0.53) KLKB1PTPN1PTPN22PLGPRSS1
SCHEMBL6573487 0.90 KLKB1 (0.56) KLKB1PTPN1PTPN22PLGPRSS1
SCHEMBL6573491 0.90 KLKB1 (0.56) KLKB1PTPN1PTPN22PLGPRSS1
SCHEMBL4315645 0.88 KLKB1 (0.56) KLKB1PTPN1PTPN22PLGPRSS1
SCHEMBL4315647 0.88 KLKB1 (0.56) KLKB1PTPN1PTPN22PLGPRSS1
SCHEMBL6571743 0.88 KLKB1 (0.56) KLKB1PTPN1PTPN22PLGPRSS1
SCHEMBL6575231 0.88 PTPN1 (0.54) PTPN1PTPN22GRIA1CHRND

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