SCHEMBL7360978

SCHEMBL7360978

COc1ccc(S(=O)(=O)n2c(-c3ccccc3)cc3ccccc3c2=O)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 1.00
PDE4B Q07343 5/20 1.00
PDE4C Q08493 5/20 1.00
PDE4D Q08499 5/20 1.00
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
CTSG P08311 1/20 0.46
CMA1 P23946 1/20 0.46
HCRTR1 O43613 1/20 0.46
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
HTR6 P50406 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL8602420 0.84 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8602539 0.81 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7358727 0.81 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7392643 0.80 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7365562 0.78 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7366201 0.77 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7359664 0.76 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7362713 0.74 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8602385 0.74 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7358967 0.70 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DKDM4E

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
US-5728712-A 3,4-disubstituted-phenylsulphonamides and their therapeutic use CHIROSCIENCE LIMITED (GB) 1998-03-17 US claimed
US-5728712-A 3,4-disubstituted-phenylsulphonamides and their therapeutic use CHIROSCIENCE LIMITED (GB) 1998-03-17 US disclosed
WO-1996036611-A1 3,4-DISUBSTITUTED-PHENYLSULPHONAMIDES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-21 WO disclosed