SCHEMBL6575495

SCHEMBL6575495

CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)NC(=O)N(Cc1ccc(CC(=O)O)cc1)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.50
PLG P00747 3/20 0.50
PRSS1 P07477 3/20 0.50
PRSS2 P07478 3/20 0.50
PRSS3 P35030 3/20 0.50
PTPN22 Q9Y2R2 2/20 0.43
KLKB1 P03952 2/20 0.42
PTGES O14684 2/20 0.41
KIFC1 Q9BW19 3/20 0.41

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
SCHEMBL6575522 0.91 PLG (0.50) PTPN1PLGPRSS1PRSS2PRSS3
SCHEMBL7659206 0.90 PLG (0.49) PTPN1PLGPRSS1PRSS2PRSS3
SCHEMBL6572768 0.86 KLKB1 (0.51) PTPN1PLGPRSS1PRSS2PRSS3
SCHEMBL6575442 0.83 KLKB1 (0.49) PTPN1PLGPRSS1PRSS2PRSS3
SCHEMBL6575449 0.83 KLKB1 (0.49) PTPN1PLGPRSS1PRSS2PRSS3
SCHEMBL6573134 0.82 PLG (0.49) PTPN1PLGPRSS1PRSS2PRSS3
SCHEMBL6572858 0.79 PLG (0.54) PTPN1PLGPRSS1PRSS2PRSS3
SCHEMBL6572853 0.79 PLG (0.54) PTPN1PLGPRSS1PRSS2PRSS3
SCHEMBL8110572 0.77 KLKB1 (0.43) PTPN1PLGPRSS1PRSS2PRSS3
SCHEMBL6575213 0.76 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 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-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