SCHEMBL585958

SCHEMBL585958

CS(=O)(=O)NC(=O)Cc1cc(Oc2ccc(S(C)(=O)=O)cc2Cl)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.48
MRGPRX4 Q96LA9 2/20 0.43
KCNQ3 O43525 2/20 0.42
KCNQ2 O43526 2/20 0.42
KMT2A Q03164 1/20 0.41
FFAR1 O14842 2/20 0.41
RORC P51449 2/20 0.40
EPAS1 Q99814 1/20 0.40
PCNA P12004 1/20 0.39
SCN9A Q15858 2/20 0.39
P2RX4 Q99571 1/20 0.38
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL585257 0.93 PTGDR2 (0.46) PTGDR2MRGPRX4KCNQ3KCNQ2KMT2A
SCHEMBL586021 0.92 PTGDR2 (0.44) PTGDR2MRGPRX4KCNQ3KCNQ2KMT2A
SCHEMBL585990 0.91 PTGDR2 (0.44) PTGDR2MRGPRX4KCNQ3KCNQ2KMT2A
SCHEMBL585614 0.90 MRGPRX4 (0.42) PTGDR2MRGPRX4KCNQ3KCNQ2KMT2A
SCHEMBL585820 0.89 KCNQ3 (0.45) PTGDR2MRGPRX4KCNQ3KCNQ2KMT2A
SCHEMBL883824 0.89 PTGDR2 (0.55) PTGDR2MRGPRX4KCNQ3KCNQ2KMT2A
SCHEMBL12775547 0.88 PTGDR2 (0.49) PTGDR2MRGPRX4KCNQ3KCNQ2KMT2A
SCHEMBL586177 0.87 EGFR (0.40) PTGDR2MRGPRX4KMT2AFFAR1RORC
SCHEMBL585800 0.86 EPAS1 (0.46) PTGDR2RORCEPAS1PCNASCN9A
SCHEMBL4770158 0.83 PTGDR2 (0.45) PTGDR2MRGPRX4KCNQ3KCNQ2FFAR1

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 9 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
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 PTGDR2 120/4885MRGPRX4 496/4885KCNQ3 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.