SCHEMBL4184591

SCHEMBL4184591

COc1ccc(S(=O)(=O)N(C)CCN(C)S(=O)(=O)c2ccc(OC)c(OC(F)(F)F)c2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.52
KMT2A Q03164 5/20 0.51
TSHR P16473 2/20 0.48
MEN1 O00255 3/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 4/20 0.47
SIGMAR1 Q99720 1/20 0.46
MAPT P10636 3/20 0.43
ALOX15 P16050 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 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
SCHEMBL4176914 0.89 PDE4D (0.61) PDE4DKMT2ATSHRMEN1MAPK1
SCHEMBL4190701 0.83 PDE4D (0.54) PDE4DKMT2ATSHRMEN1MAPK1
SCHEMBL4194071 0.82 PDE4D (0.58) PDE4DKMT2ATSHRMAPK1POLB
SCHEMBL7205749 0.81 PDE4D (0.57) PDE4DKMT2ATSHRMEN1MAPK1
SCHEMBL4187978 0.81 PDE4D (0.54) PDE4DKMT2ATSHRMEN1MAPK1
SCHEMBL7204075 0.79 PDE4D (0.55) PDE4DKMT2ATSHRMAPK1POLB
SCHEMBL4191455 0.78 PDE4D (0.58) PDE4DKMT2ATSHRMAPK1POLB
SCHEMBL7204680 0.78 TSHR (0.58) PDE4DKMT2ATSHRMEN1MAPK1
SCHEMBL4184692 0.78 PDE4D (0.54) PDE4DKMT2ATSHRMEN1MAPK1
SCHEMBL4181852 0.77 TSHR (0.51) PDE4DKMT2ATSHRMEN1MAPK1

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 PDE4D 2/4885KMT2A 3729/4885TSHR 576/4885

“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.