SCHEMBL6572629

SCHEMBL6572629

CCCCCNC(=O)C(Cc1ccc(OC(C(=O)O)C(=O)O)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.67
PTPN22 Q9Y2R2 2/20 0.67
PTPRA P18433 1/20 0.59
CTSS P25774 6/20 0.53
CTSK P43235 5/20 0.53
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
AKT1 P31749 1/20 0.52
PLG P00747 1/20 0.51
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51

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
SCHEMBL6572625 1.00 PTPN1 (0.67) PTPN1PTPN22PTPRACTSSCTSK
SCHEMBL6571465 0.95 PTPN1 (0.65) PTPN1PTPN22PTPRACTSSCTSK
SCHEMBL6572579 0.94 PTPN1 (0.64) PTPN1PTPN22PTPRACTSSCTSK
SCHEMBL6572831 0.94 PTPN1 (0.64) PTPN1PTPN22PTPRACTSSCTSK
SCHEMBL6572795 0.94 PTPN1 (0.61) PTPN1PTPN22PTPRACTSSCTSK
SCHEMBL6571334 0.94 PTPN1 (0.60) PTPN1PTPN22PTPRACTSSCTSK
SCHEMBL6574701 0.94 PTPN1 (0.60) PTPN1PTPN22PTPRACTSSCTSK
SCHEMBL6574882 0.93 PTPN1 (0.60) PTPN1PTPN22PTPRACTSSCTSK
SCHEMBL7665730 0.93 PTPN1 (0.60) PTPN1PTPN22PTPRACTSSCTSK
SCHEMBL6573618 0.92 PTPN1 (0.59) PTPN1PTPN22PTPRACTSSCTSK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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