SCHEMBL7418696

SCHEMBL7418696

COc1ccc(S(=O)(=O)NC2CCc3ccccc32)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 1.00
PDE4B Q07343 7/20 1.00
PDE4C Q08493 7/20 1.00
PDE4D Q08499 7/20 1.00
ALDH1A1 P00352 2/20 0.59
HTT P42858 2/20 0.59
MAPK1 P28482 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TSHR P16473 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
DRD2 P14416 2/20 0.51
ADRA1D P25100 2/20 0.51
ADRA1A P35348 2/20 0.51
ADRA1B P35368 2/20 0.51
CYP1A2 P05177 1/20 0.50
CA12 O43570 1/20 0.50

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
SCHEMBL7425456 1.00 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL13350317 1.00 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7470631 0.93 PDE4A (0.87) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7424183 0.88 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7423655 0.87 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7419331 0.87 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7420983 0.86 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7418335 0.85 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7421227 0.85 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL6236510 0.82 PDE4A (0.69) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996036596-A1 3,4-DISUBSTITUTED-PHENYLSULPHONAMIDES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-21 WO claimed
EP-1849468-A2 Pharmaceutical composition of a pde4 or a pde3/4 inhibitor and a histamine receptor antagonist Nycomed GmbH (DE) 2007-10-31 EP disclosed
WO-2004047817-A1 PDE4 AND PDE3/4 INHIBITORS FOR USE IN THE TREATMENT OF CACHEXIA ALTANA PHARMA AG (DE) 2004-06-10 WO disclosed
WO-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed
WO-1996036596-A1 3,4-DISUBSTITUTED-PHENYLSULPHONAMIDES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-21 WO disclosed