SCHEMBL5144470

SCHEMBL5144470

CC(CS(C)(=O)=O)c1cc(-c2cccc(/C=C(/C(=O)NC3CC3)c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 19/20 0.68
PDE4B Q07343 19/20 0.68
PDE4C Q08493 19/20 0.68
PDE4D Q08499 19/20 0.68
CYP2C9 P11712 4/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL5144748 0.90 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL6987313 0.89 PDE4A (0.83) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5911780 0.89 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5266881 0.88 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL5144471 0.86 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4031506 0.83 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4031501 0.83 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL7451912 0.81 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4027330 0.80 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4027337 0.80 PDE4A (1.00) 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 14 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-1562588-A4 USE OF PDE4 INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS MERCK & CO INC (US) 2007-10-31 EP disclosed
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
EP-1562588-A2 USE OF PDE4 INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS Merck & Co., Inc. (US) 2005-08-17 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
WO-2004045508-A2 USE OF PDE4 INHIBITORS AS ADJUNCT THERAPY FOR PSYCHIATRIC DISORDERS MERCK & CO., INC. (US) 2004-06-03 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