SCHEMBL585383

SCHEMBL585383

CS(=O)(=O)c1ccc(Oc2cc(Cl)ccc2CCC#N)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.45
PTGS1 P23219 2/20 0.45
PTGDR2 Q9Y5Y4 6/20 0.42
SLC6A4 P31645 5/20 0.40
SLC6A3 Q01959 4/20 0.40
KCNH2 Q12809 3/20 0.40
EPAS1 Q99814 1/20 0.40
SLC6A2 P23975 3/20 0.38
SLC22A12 Q96S37 1/20 0.38
SCN9A Q15858 1/20 0.38
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
HTR2A P28223 1/20 0.36

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
SCHEMBL1653539 0.82 PTGDR2 (0.49) PTGS2PTGS1PTGDR2SLC6A3SLC6A2
SCHEMBL1651593 0.82 PTGS2 (0.49) PTGS2PTGS1PTGDR2SLC6A4SLC6A3
SCHEMBL2394825 0.81 PTGDR2 (0.53) PTGS2PTGS1PTGDR2
SCHEMBL1650119 0.80 PTGS2 (0.47) PTGS2PTGS1PTGDR2SLC6A4SLC6A3
SCHEMBL5112082 0.78 PTGDR2 (0.47) PTGS2PTGS1PTGDR2SLC6A4SLC6A3
SCHEMBL586218 0.76 PTGS2 (0.43) PTGS2PTGS1PTGDR2SCN9ACYP11B1
SCHEMBL2393245 0.76 PTGDR2 (0.49) PTGS2PTGS1PTGDR2
SCHEMBL3936441 0.76 PTGS2 (0.53) PTGS2PTGS1PTGDR2SLC6A3EPAS1
SCHEMBL1333614 0.76 PTGS2 (0.53) PTGS2PTGS1PTGDR2
SCHEMBL4873559 0.75 PTGS2 (0.55) PTGS2PTGS1PTGDR2SLC6A3EPAS1

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
EP-1963259-B1 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2012-02-15 EP disclosed
EP-2305640-A2 Substituted diphenyl-ethers, -amines, -sulfides and -methanes for the treatment of respiratory diseases AstraZeneca AB (SE) 2011-04-06 EP disclosed
US-20080293775-A1 Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2008-11-27 US disclosed
EP-1963259-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE AstraZeneca AB (SE) 2008-09-03 EP disclosed
WO-2007068894-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2007-06-21 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-20080293775-A1 Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease PNMT, SQOR, SMS PTGS2 525/4885PTGS1 351/4885PTGDR2 120/4885

“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.