SCHEMBL585259

SCHEMBL585259

CCCS(=O)(=O)NC(=O)Cc1cc(Oc2ccc(S(C)(=O)=O)cc2C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.41
KCNQ2 O43526 3/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.37
RORC P51449 3/20 0.36
S1PR2 O95136 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PPARG P37231 2/20 0.34
TACR1 P25103 1/20 0.34
NR3C1 P04150 1/20 0.34
SLC6A9 P48067 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1B Q00975 1/20 0.33

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
SCHEMBL585822 0.94 KCNQ3 (0.41) KCNQ3KCNQ2PTGDR2RORCS1PR2
SCHEMBL585990 0.90 PTGDR2 (0.44) KCNQ3KCNQ2PTGDR2RORCPPARG
SCHEMBL585444 0.85 RORC (0.44) PTGDR2RORC
SCHEMBL586124 0.83 PTGDR2 (0.47) KCNQ3KCNQ2PTGDR2NR3C1
SCHEMBL585257 0.83 PTGDR2 (0.46) KCNQ3KCNQ2PTGDR2RORC
SCHEMBL585958 0.80 PTGDR2 (0.48) KCNQ3KCNQ2PTGDR2RORC
SCHEMBL586021 0.80 PTGDR2 (0.44) KCNQ3KCNQ2PTGDR2RORCS1PR2
SCHEMBL585786 0.78 SLC22A12 (0.41) KCNQ3KCNQ2PTGDR2
SCHEMBL585820 0.78 KCNQ3 (0.45) KCNQ3KCNQ2PTGDR2RORCALDH1A1
SCHEMBL587042 0.78 EPAS1 (0.42) PTGDR2RORC

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 7 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-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
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
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 KCNQ3 912/4885KCNQ2 970/4885PTGDR2 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.