SCHEMBL6573618

SCHEMBL6573618

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

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 0.59
PTPN22 Q9Y2R2 2/20 0.59
PTPRA P18433 1/20 0.52
CCKAR P32238 2/20 0.48
CCKBR P32239 2/20 0.48
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
CTSS P25774 3/20 0.46
CTSK P43235 3/20 0.46

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
SCHEMBL6574701 0.93 PTPN1 (0.60) PTPN1PTPN22PTPRACCKARCCKBR
SCHEMBL6571334 0.93 PTPN1 (0.60) PTPN1PTPN22PTPRACCKARCCKBR
SCHEMBL6572625 0.92 PTPN1 (0.67) PTPN1PTPN22PTPRAITGB3ITGA2B
SCHEMBL6572629 0.92 PTPN1 (0.67) PTPN1PTPN22PTPRAITGB3ITGA2B
SCHEMBL6571465 0.91 PTPN1 (0.65) PTPN1PTPN22PTPRACTSSCTSK
SCHEMBL6572831 0.91 PTPN1 (0.64) PTPN1PTPN22PTPRAITGB3ITGA2B
SCHEMBL6572579 0.91 PTPN1 (0.64) PTPN1PTPN22PTPRAITGB3ITGA2B
SCHEMBL6572795 0.91 PTPN1 (0.61) PTPN1PTPN22PTPRAITGB3ITGA2B
SCHEMBL6574796 0.90 PTPN1 (0.57) PTPN1PTPN22PTPRACCKARCCKBR
SCHEMBL6573532 0.90 PTPN1 (0.60) PTPN1PTPN22PTPRACCKARCCKBR

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 4 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