SCHEMBL586124

SCHEMBL586124

CS(=O)(=O)c1ccc(Oc2cc(CC(=O)O)cc(C(F)(F)F)c2)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.47
NR3C1 P04150 2/20 0.46
KCNQ3 O43525 3/20 0.44
KCNQ2 O43526 3/20 0.44
RXRA P19793 6/20 0.43
RXRB P28702 6/20 0.43
RXRG P48443 6/20 0.43
THRB P10828 2/20 0.40
THRA P10827 1/20 0.40
PTGS2 P35354 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL883873 0.90 PTGDR2 (0.49) PTGDR2NR3C1RXRARXRBRXRG
SCHEMBL2067362 0.89 NR3C1 (0.50) PTGDR2NR3C1KCNQ3KCNQ2RXRA
SCHEMBL883824 0.88 PTGDR2 (0.55) PTGDR2KCNQ3KCNQ2RXRARXRB
SCHEMBL2065914 0.88 PTGDR2 (0.49) PTGDR2NR3C1RXRARXRBRXRG
SCHEMBL585822 0.86 KCNQ3 (0.41) PTGDR2NR3C1KCNQ3KCNQ2
SCHEMBL585259 0.83 KCNQ3 (0.41) PTGDR2NR3C1KCNQ3KCNQ2
SCHEMBL4766658 0.81 KCNQ3 (0.40) PTGDR2KCNQ3KCNQ2PTGS2
SCHEMBL585444 0.81 RORC (0.44) PTGDR2
SCHEMBL883847 0.80 PTGDR2 (0.48) PTGDR2RXRARXRBRXRGTHRB
SCHEMBL2066397 0.79 RXRA (0.46) PTGDR2NR3C1RXRARXRBRXRG

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 4 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
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 PTGDR2 120/4885NR3C1 523/4885KCNQ3 912/4885

“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.