SCHEMBL6574908

SCHEMBL6574908

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

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.66
CHRNB2 P17787 1/20 0.54
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54
CHRNA4 P43681 1/20 0.54
KLKB1 P03952 1/20 0.52
FOLH1 Q04609 2/20 0.50
PLG P00747 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
GRIA1 P42261 1/20 0.49
CHRND Q07001 2/20 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
SCHEMBL6571438 0.95 PTPN1 (0.62) PTPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6572344 0.95 PTPN1 (0.62) PTPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6571434 0.95 PTPN1 (0.62) PTPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6574706 0.95 PTPN1 (0.63) PTPN1KLKB1FOLH1PLGPRSS1
SCHEMBL6571541 0.94 PTPN1 (0.59) PTPN1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6571396 0.94 PTPN1 (0.61) PTPN1GRIA1CHRND
SCHEMBL6571404 0.94 PTPN1 (0.61) PTPN1GRIA1CHRND
SCHEMBL6575070 0.94 PTPN1 (0.61) PTPN1GRIA1CHRND
SCHEMBL6575066 0.94 PTPN1 (0.61) PTPN1GRIA1CHRND
SCHEMBL6574928 0.94 PTPN1 (0.59) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1418171-B1 Verfahren zur Herstellung von Perfluoroalkylanilins SALTIGO GMBH (DE) 2011-12-14 EP claimed
EP-1418171-A1 Perfluoroalkylanilins Bayer Chemicals AG (DE) 2004-05-12 EP claimed
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-1418171-B1 Verfahren zur Herstellung von Perfluoroalkylanilins SALTIGO GMBH (DE) 2011-12-14 EP disclosed
EP-1019364-B1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE BIOVITRUM AB (SE) 2004-06-09 EP disclosed
EP-1418171-A1 Perfluoroalkylanilins Bayer Chemicals AG (DE) 2004-05-12 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