SCHEMBL6573134

SCHEMBL6573134

CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)NC(=O)N(Cc1ccccc1)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLG P00747 5/20 0.49
PRSS1 P07477 4/20 0.49
PRSS2 P07478 4/20 0.49
PRSS3 P35030 4/20 0.49
KLKB1 P03952 2/20 0.48
PTPN1 P18031 12/20 0.46
PTPRA P18433 2/20 0.45
L3MBTL1 Q9Y468 1/20 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
SCHEMBL6572768 0.96 KLKB1 (0.51) PLGPRSS1PRSS2PRSS3KLKB1
SCHEMBL6575449 0.90 KLKB1 (0.49) PLGPRSS1PRSS2PRSS3KLKB1
SCHEMBL6575442 0.90 KLKB1 (0.49) PLGPRSS1PRSS2PRSS3KLKB1
SCHEMBL6572858 0.86 PLG (0.54) PLGPRSS1PRSS2PRSS3KLKB1
SCHEMBL6572853 0.86 PLG (0.54) PLGPRSS1PRSS2PRSS3KLKB1
SCHEMBL6575522 0.85 PLG (0.50) PLGPRSS1PRSS2PRSS3KLKB1
SCHEMBL8110572 0.84 KLKB1 (0.43) PLGPRSS1PRSS2PRSS3KLKB1
SCHEMBL4315645 0.82 KLKB1 (0.56) PLGPRSS1PRSS2PRSS3KLKB1
SCHEMBL6571743 0.82 KLKB1 (0.56) PLGPRSS1PRSS2PRSS3KLKB1
SCHEMBL4315647 0.82 KLKB1 (0.56) PLGPRSS1PRSS2PRSS3KLKB1

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 6 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