SCHEMBL6571419

SCHEMBL6571419

CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)NC(=O)c1ccccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 18/20 0.53
PTPRA P18433 5/20 0.53
PTPN2 P17706 1/20 0.50
ITGB1 P05556 1/20 0.48
ITGA4 P13612 1/20 0.48
ITGB7 P26010 1/20 0.48
PTPN22 Q9Y2R2 1/20 0.48
PLG P00747 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47

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
SCHEMBL6571423 1.00 PTPN1 (0.53) PTPN1PTPRAPTPN2ITGB1ITGA4
SCHEMBL4651314 0.91 TACR2 (0.54) PTPN1PTPRAPTPN2ITGB1ITGA4
SCHEMBL4650398 0.86 L3MBTL1 (0.66) PTPN1PTPN22PLGPRSS1PRSS2
SCHEMBL4315647 0.85 KLKB1 (0.56) PTPN1ITGB1ITGA4PTPN22PLG
SCHEMBL6571743 0.85 KLKB1 (0.56) PTPN1ITGB1ITGA4PTPN22PLG
SCHEMBL4315645 0.85 KLKB1 (0.56) PTPN1ITGB1ITGA4PTPN22PLG
SCHEMBL6575231 0.85 PTPN1 (0.54) PTPN1PTPN22
SCHEMBL6575213 0.85 PTPN1 (0.54) PTPN1PTPN22
SCHEMBL6572768 0.82 KLKB1 (0.51) PTPN1PTPRAPTPN22PLGPRSS1
SCHEMBL6575293 0.81 PTPN1 (0.55) PTPN1PTPN22PLGPRSS1PRSS2

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