SCHEMBL6574706

SCHEMBL6574706

CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)NC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.63
PLG P00747 6/20 0.58
PRSS1 P07477 6/20 0.58
PRSS2 P07478 6/20 0.58
PRSS3 P35030 6/20 0.58
KLKB1 P03952 1/20 0.52
FOLH1 Q04609 2/20 0.50
REN P00797 1/20 0.50

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
SCHEMBL6574908 0.95 PTPN1 (0.66) PTPN1PLGPRSS1PRSS2PRSS3
SCHEMBL6571438 0.90 PTPN1 (0.62) PTPN1
SCHEMBL6571434 0.90 PTPN1 (0.62) PTPN1
SCHEMBL6572344 0.90 PTPN1 (0.62) PTPN1
SCHEMBL6575250 0.90 PTPN1 (0.55) PTPN1PLGPRSS1PRSS2PRSS3
SCHEMBL6571541 0.90 PTPN1 (0.59) PTPN1
SCHEMBL6575066 0.90 PTPN1 (0.61) PTPN1
SCHEMBL6575070 0.90 PTPN1 (0.61) PTPN1
SCHEMBL6571396 0.90 PTPN1 (0.61) PTPN1
SCHEMBL6571404 0.90 PTPN1 (0.61) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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