SCHEMBL6573353

SCHEMBL6573353

CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.52
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSS P25774 1/20 0.51
CTSK P43235 1/20 0.51
SIRT2 Q8IXJ6 10/20 0.49
SIRT1 Q96EB6 6/20 0.49
SIRT3 Q9NTG7 5/20 0.49
PLG P00747 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
KLKB1 P03952 1/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48

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
SCHEMBL7666845 0.88 PTPN1 (0.50) PTPN1CTSLCTSBCTSSCTSK
SCHEMBL6571529 0.86 PTPN1 (0.56) PTPN1SIRT2SIRT1SIRT3
SCHEMBL6574701 0.86 PTPN1 (0.60) PTPN1CTSSCTSKITGB3ITGA2B
SCHEMBL6571334 0.86 PTPN1 (0.60) PTPN1CTSSCTSKITGB3ITGA2B
SCHEMBL6574908 0.85 PTPN1 (0.66) PTPN1PLGPRSS1PRSS2PRSS3
SCHEMBL6572984 0.85 PTPN1 (0.55) PTPN1ITGB3ITGA2B
SCHEMBL6571541 0.85 PTPN1 (0.59) PTPN1
SCHEMBL6571465 0.84 PTPN1 (0.65) PTPN1CTSLCTSBCTSSCTSK
SCHEMBL6574706 0.84 PTPN1 (0.63) PTPN1PLGPRSS1PRSS2PRSS3
SCHEMBL6572527 0.84 MMP2 (0.51) PTPN1PLGPRSS1PRSS2PRSS3

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