SCHEMBL585580

SCHEMBL585580

CC(C)(C)S(=O)(=O)NC(=O)Cc1cc(Oc2ccc(S(=O)(=O)c3ccccc3)cc2C#N)cc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.42
PLA2G7 Q13093 5/20 0.39
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
SCN9A Q15858 6/20 0.38
EPAS1 Q99814 3/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 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
SCHEMBL585385 0.93 SLC22A12 (0.44) SLC22A12PLA2G7SCN9AEPAS1KCNQ3
SCHEMBL586070 0.91 SLC22A12 (0.42) SLC22A12PLA2G7SCN9AEPAS1KCNQ3
SCHEMBL585430 0.89 SLC22A12 (0.41) SLC22A12PLA2G7SCN9AEPAS1KCNQ3
SCHEMBL585786 0.89 SLC22A12 (0.41) SLC22A12PLA2G7SCN9AEPAS1KCNQ3
SCHEMBL12776133 0.87 MMP2 (0.38) MMP2MMP9MMP12KCNQ3KCNQ2
SCHEMBL585875 0.87 SLC22A12 (0.45) SLC22A12PLA2G7SCN9AEPAS1
SCHEMBL585614 0.79 MRGPRX4 (0.42) SCN9AMMP2MMP9MMP12KCNQ3
SCHEMBL12775986 0.79 KCNQ3 (0.41) MMP2MMP9MMP12KCNQ3KCNQ2
SCHEMBL4766608 0.79 SLC22A12 (0.46) SLC22A12PLA2G7ABCC9ABCC8KCNJ11
SCHEMBL585788 0.78 PTGDR2 (0.39) KCNQ3KCNQ2

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 11 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 claimed
US-20080293775-A1 Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2008-11-27 US claimed
EP-1963259-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE AstraZeneca AB (SE) 2008-09-03 EP claimed
WO-2007068894-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2007-06-21 WO claimed
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
US-20080293775-A1 Substituted Diphenylethers, -Amines, -Sulfides and -Methanes for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2008-11-27 US 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 SLC22A12 1862/4885PLA2G7 1285/4885ABCC9 2525/4885

“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.