SCHEMBL6575293

SCHEMBL6575293

CCCCCNC(=O)[C@H](Cc1ccc(OC(C(=O)O)C(=O)O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCOC

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.55
CHRNB2 P17787 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA4 P43681 1/20 0.52
KLKB1 P03952 1/20 0.51
PSMB5 P28074 1/20 0.50
PTPN22 Q9Y2R2 1/20 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
GRIA1 P42261 1/20 0.48
CHRND Q07001 3/20 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
SCHEMBL6574908 0.91 PTPN1 (0.66) PTPN1CHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL6572434 0.87 PTPN1 (0.53) PTPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6572533 0.87 PTPN1 (0.56) PTPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6572536 0.87 PTPN1 (0.56) PTPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6571117 0.86 PTPN1 (0.58) PTPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6574706 0.86 PTPN1 (0.63) PTPN1KLKB1PLGPRSS1PRSS2
SCHEMBL6572344 0.86 PTPN1 (0.62) PTPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6571434 0.86 PTPN1 (0.62) PTPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6571438 0.86 PTPN1 (0.62) PTPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6571374 0.85 PTPN1 (0.58) PTPN1CHRNB2CHRNB4CHRNA3CHRNA4

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