SCHEMBL5266883

SCHEMBL5266883

CC(Cc1cc(-c2cccc(/C=C(/C(=O)NC(C)(C)C)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1)S(C)(=O)=O

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 20/20 0.64
PDE4B Q07343 20/20 0.64
PDE4C Q08493 20/20 0.64
PDE4D Q08499 20/20 0.64
CYP2C9 P11712 6/20 0.47
KCNH2 Q12809 1/20 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
SCHEMBL5142277 0.92 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL7453356 0.92 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5144750 0.91 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6987316 0.90 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6603435 0.90 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5144471 0.89 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6604259 0.89 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5266881 0.85 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4028736 0.84 PDE4A (0.83) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4028742 0.84 PDE4A (0.83) PDE4APDE4BPDE4CPDE4DCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592419-A1 USE OF PHOSPHODIESTERASE-4 INHIBITORS AS ENHANCERS OF COGNITION Merck Frosst Canada & Co. (CA) 2005-11-09 EP claimed
WO-2004047836-A1 USE OF PHOSPHODIESTERASE-4 INHIBITORS AS ENHANCERS OF COGNITION MERCK FROSST CANADA & CO. (CA) 2004-06-10 WO claimed
EP-1244628-A1 SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA INC. (CA) 2002-10-02 EP claimed
WO-2001046151-A1 SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-06-28 WO claimed
EP-1633306-A4 USE OF PHOSPHATASE INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS MERCK & CO INC (US) 2007-05-16 EP disclosed
EP-1633306-A2 USE OF PHOSPHATASE INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS Merck & Co., Inc. (US) 2006-03-15 EP disclosed
EP-1592419-A1 USE OF PHOSPHODIESTERASE-4 INHIBITORS AS ENHANCERS OF COGNITION Merck Frosst Canada & Co. (CA) 2005-11-09 EP disclosed
WO-2004105698-A2 USE OF PHOSPHATASE INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS MERCK & CO., INC. (US) 2004-12-09 WO disclosed
WO-2004047836-A1 USE OF PHOSPHODIESTERASE-4 INHIBITORS AS ENHANCERS OF COGNITION MERCK FROSST CANADA & CO. (CA) 2004-06-10 WO disclosed
EP-1363635-A1 SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS Merck & Co., Inc. (US) 2003-11-26 EP disclosed
WO-2002069970-A1 SUBSTITUTED 8-ARYLQUINOLINE PHOSPHODIESTERASE-4 INHIBITORS MERCK & CO., INC. (US) 2002-09-12 WO disclosed