SCHEMBL4609237

SCHEMBL4609237

CCC1CN(S(=O)(=O)c2ccc(OC)c(OC)c2)C(CC)CN1S(=O)(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.54
MAPK1 P28482 3/20 0.50
TSHR P16473 3/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 2/20 0.47
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.46
HCRTR1 O43613 1/20 0.46

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
SCHEMBL4177318 1.00 GPBAR1 (0.54) GPBAR1MAPK1TSHRPOLBMAPT
SCHEMBL4174339 0.94 GPBAR1 (0.51) GPBAR1MAPK1TSHRPOLBMAPT
SCHEMBL4184732 0.81 GPBAR1 (0.61) GPBAR1MAPK1TSHRPOLBKMT2A
SCHEMBL4184730 0.81 GPBAR1 (0.61) GPBAR1MAPK1TSHRPOLBKMT2A
SCHEMBL4182164 0.81 GPBAR1 (0.61) GPBAR1MAPK1TSHRPOLBKMT2A
SCHEMBL4187502 0.79 HSD11B1 (0.58) GPBAR1MAPK1TSHRPOLBPDE4A
SCHEMBL4186414 0.79 GPBAR1 (0.52) GPBAR1MAPK1TSHRPOLBMAPT
SCHEMBL4184722 0.78 GPBAR1 (0.61) GPBAR1MAPK1TSHRPOLBMAPT
SCHEMBL13908425 0.78 GPBAR1 (0.61) GPBAR1MAPK1TSHRPOLBMAPT
SCHEMBL3825843 0.76 HCRTR1 (0.53) GPBAR1MAPK1TSHRPOLBMAPT

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-1976498-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-10-08 EP claimed
WO-2007127505-A2 USE OF SULFONAMIDE DERIVATIVES IN THE TREATMENT OF DISORDERS OF THE METABOLISM AND THE NERVOUS SYSTEM SMITHKLINE BEECHAM CORPORATION (US) 2007-11-08 WO claimed
EP-1976498-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-10-08 EP disclosed
WO-2007127505-A2 USE OF SULFONAMIDE DERIVATIVES IN THE TREATMENT OF DISORDERS OF THE METABOLISM AND THE NERVOUS SYSTEM SMITHKLINE BEECHAM CORPORATION (US) 2007-11-08 WO disclosed