SCHEMBL586644

SCHEMBL586644

CS(=O)(=O)c1ccc(Oc2cc(CC(=O)O)ccc2Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.48
PTGDR Q13258 4/20 0.48
CA5A P35218 1/20 0.46
LMNA P02545 1/20 0.46
CHRM1 P11229 1/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA2 P00918 1/20 0.41
CXCL8 P10145 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL4639157 0.99 PTGDR2 (0.47) PTGDR2PTGDRCA5ALMNACHRM1
Water SCHEMBL4639155 0.98 PTGDR2 (0.46) PTGDR2PTGDRCA5ALMNACHRM1
SCHEMBL2066101 0.89 PTGDR2 (0.45) PTGDR2PTGDRCA5ALMNAALDH1A1
SCHEMBL2066559 0.89 PTGDR2 (0.48) PTGDR2PTGDRCA5ACHRM1ALDH1A1
SCHEMBL883835 0.87 PTGDR2 (0.46) PTGDR2PTGDRCA5ALMNACHRM1
SCHEMBL2066841 0.86 PTGDR2 (0.46) PTGDR2PTGDRCA5ALMNA
SCHEMBL883929 0.86 EPAS1 (0.50) PTGDR2PTGDRCA5A
SCHEMBL2065275 0.86 SCN9A (0.46) PTGDR2PTGDRCA5ALMNAALDH1A1
SCHEMBL585526 0.86 ALDH1A1 (0.43) PTGDR2PTGDRLMNAALDH1A1CXCL8
SCHEMBL586570 0.81 PTGDR2 (0.54) PTGDR2PTGDR

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148572-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US claimed
US-20090192163-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-07-30 US claimed
EP-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP claimed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO claimed
US-8148572-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-8148572-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-8148572-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
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-20090192163-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-07-30 US disclosed
US-20090192163-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-07-30 US disclosed
US-20090192163-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-07-30 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-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP disclosed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO disclosed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 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 (2 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 PTGDR2 120/4885PTGDR 90/4885CA5A 1799/4885
US-20090192163-A1 Novel Compounds PAH, PC, DDC PTGDR2 1000/4885PTGDR 859/4885CA5A 62/4885

“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.