SCHEMBL4422949

SCHEMBL4422949

CCOc1cc(C(CN2C(=O)c3cccc(NS(C)(=O)=O)c3C2=O)[S+](C)[O-])ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.51
PDE4C Q08493 20/20 0.51
PDE4A P27815 14/20 0.51
PDE4D Q08499 14/20 0.51
HTR2B P41595 1/20 0.51

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
SCHEMBL4428840 0.87 PDE4B (0.62) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL825653 0.86 PDE4B (0.53) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL5189259 0.84 PDE4B (0.51) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL5191578 0.82 PDE4A (0.45) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL5277127 0.80 PDE4B (0.47) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL537498 0.78 PDE4B (0.80) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL5189328 0.76 PDE4B (0.40) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL25205204 0.76 PDE4B (0.69) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL825619 0.76 PDE4B (0.69) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL6025567 0.75 PDE4B (0.64) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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