SCHEMBL6571529

SCHEMBL6571529

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.56
PTPN22 Q9Y2R2 2/20 0.56
PSMB8 P28062 1/20 0.54
PSMB9 P28065 1/20 0.54
PSMB5 P28074 1/20 0.54
KLK7 P49862 1/20 0.52
KLK5 Q9Y337 1/20 0.52
PTPRA P18433 1/20 0.51
SIRT2 Q8IXJ6 4/20 0.51
SIRT1 Q96EB6 2/20 0.51
SIRT3 Q9NTG7 2/20 0.51
MAPT P10636 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
SCHEMBL6571465 0.91 PTPN1 (0.65) PTPN1PTPN22PTPRA
SCHEMBL6573532 0.90 PTPN1 (0.60) PTPN1PTPN22PSMB8PSMB9PSMB5
SCHEMBL6572704 0.88 PTPN1 (0.58) PTPN1PTPN22PSMB8PSMB9PSMB5
SCHEMBL6572579 0.87 PTPN1 (0.64) PTPN1PTPN22PTPRA
SCHEMBL6572795 0.87 PTPN1 (0.61) PTPN1PTPN22PTPRA
SCHEMBL6572629 0.87 PTPN1 (0.67) PTPN1PTPN22PTPRA
SCHEMBL6572625 0.87 PTPN1 (0.67) PTPN1PTPN22PTPRA
SCHEMBL6573618 0.86 PTPN1 (0.59) PTPN1PTPN22PTPRA
SCHEMBL6573353 0.86 PTPN1 (0.52) PTPN1SIRT2SIRT1SIRT3
SCHEMBL6574701 0.86 PTPN1 (0.60) PTPN1PTPN22PTPRA

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