SCHEMBL5557255

SCHEMBL5557255

CCOc1cc(C(CN2C(=O)c3ccc(N)cc3C2=O)S(C)(=O)=O)ccc1OC

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.53
PDE4A P27815 14/20 0.53
PDE4C Q08493 14/20 0.53
PDE4D Q08499 14/20 0.53
TNF P01375 2/20 0.48
HTR2B P41595 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL6878255 0.89 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL10325021 0.87 PDE4B (0.54) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL3970137 0.86 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL825879 0.85 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL1583109 0.84 PDE4B (0.66) PDE4BPDE4APDE4CPDE4DTNF
SCHEMBL10325442 0.84 PDE4B (0.52) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL5035837 0.83 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL6025567 0.82 PDE4B (0.64) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL20589827 0.81 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL1566155 0.81 PDE4B (0.81) PDE4BPDE4APDE4CPDE4DTNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1126839-B1 SUBSTITUTED PHENETHYLSULFONES AND METHOD OF REDUCING TNF-ALPHA AND PDE-IV LEVELS CELGENE CORP (US) 2007-01-03 EP disclosed
EP-1126839-A4 SUBSTITUTED PHENETHYLSULFONES AND METHOD OF REDUCING TNF ALPHA LEVELS CELGENE CORP (US) 2004-10-27 EP disclosed
EP-1126839-A1 SUBSTITUTED PHENETHYLSULFONES AND METHOD OF REDUCING TNF ALPHA LEVELS CELGENE CORPORATION (US) 2001-08-29 EP disclosed
WO-2000025777-A1 SUBSTITUTED PHENETHYLSULFONES AND METHOD OF REDUCING TNFαLEVELS CELGENE CORPORATION (US) 2000-05-11 WO disclosed