SCHEMBL4174339

SCHEMBL4174339

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.51
MAPT P10636 1/20 0.46
MAPK1 P28482 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 2/20 0.44
POLB P06746 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 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
SCHEMBL4177318 0.94 GPBAR1 (0.54) GPBAR1MAPTMAPK1L3MBTL1CYP3A4
SCHEMBL4609237 0.94 GPBAR1 (0.54) GPBAR1MAPTMAPK1L3MBTL1CYP3A4
SCHEMBL4184730 0.89 GPBAR1 (0.61) GPBAR1MAPK1L3MBTL1CYP3A4CYP2C19
SCHEMBL4182164 0.89 GPBAR1 (0.61) GPBAR1MAPK1L3MBTL1CYP3A4CYP2C19
SCHEMBL4184732 0.89 GPBAR1 (0.61) GPBAR1MAPK1L3MBTL1CYP3A4CYP2C19
SCHEMBL4186414 0.86 GPBAR1 (0.52) GPBAR1MAPTMAPK1L3MBTL1CYP3A4
SCHEMBL4169679 0.83 ALDH1A1 (0.57) GPBAR1MAPK1L3MBTL1CYP3A4CYP2C19
SCHEMBL4176872 0.82 GPBAR1 (0.53) GPBAR1MAPK1L3MBTL1CYP3A4CYP2C19
SCHEMBL4177315 0.82 GPBAR1 (0.53) GPBAR1MAPK1L3MBTL1CYP3A4CYP2C19
SCHEMBL4180168 0.79 L3MBTL1 (0.50) GPBAR1L3MBTL1CYP3A4CYP2C19SMN1; SMN2

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
US-20090069302-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 US claimed
US-20090069302-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 US disclosed
US-20090069302-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 US disclosed
US-20090069302-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090069302-A1 CHEMICAL COMPOUNDS TBXA2R, PDE4D, PDE4A GPBAR1 81/4885MAPT 1286/4885MAPK1 1720/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.