SCHEMBL4428356

SCHEMBL4428356

CCOc1cc(C(CN2C(=O)c3ccc([N+](=O)[O-])c([N+](=O)[O-])c3C2=O)S(C)(=O)=O)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.45
PDE4C Q08493 17/20 0.45
PDE4A P27815 15/20 0.45
PDE4D Q08499 15/20 0.45
HTR2B P41595 1/20 0.39
TNF P01375 2/20 0.39

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
SCHEMBL6870187 0.89 PDE4B (0.51) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL10325021 0.83 PDE4B (0.54) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL6025567 0.82 PDE4B (0.64) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL825879 0.81 PDE4B (0.53) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL537159 0.81 PDE4B (0.69) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL1583109 0.80 PDE4B (0.66) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL10325442 0.80 PDE4B (0.52) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL6876805 0.80 PDE4B (0.49) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL6878255 0.79 PDE4B (0.52) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL5557255 0.78 PDE4B (0.53) PDE4BPDE4CPDE4APDE4DHTR2B

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-3065778-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL DISEASES WITH PDE4 MODULATORS Celgene Corporation (US) 2016-09-14 EP disclosed
WO-2015069711-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL DISEASES WITH PDE4 MODULATORS CELGENE CORPORATION (US) 2015-05-14 WO disclosed
EP-1729764-A4 METHODS OF USING AND COMPOSITIONS COMPRISING SELECTIVE CYTOKINE INHIBITORY DRUGS FOR THE TREATMENT AND MANAGEMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM CELGENE CORP (US) 2009-05-20 EP disclosed
EP-1755589-A4 METHODS OF USING AND COMPOSITIONS COMPRISING PDE4 MODULATORS FOR THE TREATMENT AND MANAGEMENT OF PULMONARY HYPERTENSION CELGENE CORP (US) 2007-11-07 EP disclosed
EP-1755589-A1 METHODS OF USING AND COMPOSITIONS COMPRISING PDE4 MODULATORS FOR THE TREATMENT AND MANAGEMENT OF PULMONARY HYPERTENSION CELGENE CORPORATION (US) 2007-02-28 EP disclosed
EP-1729764-A2 METHODS OF USING AND COMPOSITIONS COMPRISING SELECTIVE CYTOKINE INHIBITORY DRUGS FOR THE TREATMENT AND MANAGEMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM CELGENE CORPORATION (US) 2006-12-13 EP disclosed
EP-1684756-A1 CYTOKINE INHIBITORY DRUGS FOR TREATMENT OF MACULAR DEGENERATION CELGENE CORPORATION (US) 2006-08-02 EP disclosed
EP-1684741-A2 METHODS OF USING AND COMPOSITIONS COMPRISING PDE4 MODULATORS FOR THE TREATMENT AND MANAGEMENT OF ASBESTOS-RELATED DISEASES AND DISORDERS CELGENE CORPORATION (US) 2006-08-02 EP disclosed
WO-2005102317-A1 METHODS OF USING AND COMPOSITIONS COMPRISING PDE4 MODULATORS FOR THE TREATMENT AND MANAGEMENT OF PULMONARY HYPERTENSION CELGENE CORPORATION (US) 2005-11-03 WO disclosed
WO-2005094218-A2 METHODS OF USING AND COMPOSITIONS COMPRISING SELECTIVE CYTOKINE INHIBITORY DRUGS FOR THE TREATMENT AND MANAGEMENT OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM CELGENE CORPORATION (US) 2005-10-13 WO disclosed
WO-2005046592-A2 METHODS OF USING AND COMPOSITIONS COMPRISING PDE4 MODULATORS FOR THE TREATMENT AND MANAGEMENT OF ASBESTOS-RELATED DISEASES AND DISORDERS CELGENE CORPORATION (US) 2005-05-26 WO disclosed
WO-2005044269-A1 CYTOKINE INHIBITORY DRUGS FOR TREATMENT OF MACULAR DEGENERATION CELGENE CORPORATION (US) 2005-05-19 WO disclosed