SCHEMBL4769639

SCHEMBL4769639

CS(=O)(=O)c1ccc(Sc2cc(Cl)ccc2OCC#N)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.45
PTGS1 P23219 2/20 0.45
PTGDR2 Q9Y5Y4 11/20 0.44
EPAS1 Q99814 1/20 0.37
SRC P12931 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4768117 0.86 PTGDR2 (0.42) PTGS2PTGS1PTGDR2EPAS1
SCHEMBL1332654 0.82 PTGDR2 (0.67) PTGDR2
SCHEMBL4790579 0.82 SMN1; SMN2 (0.48) PTGS2PTGS1PTGDR2MEN1ALDH1A1
SCHEMBL1653023 0.79 KDM4E (0.38) PTGS2PTGS1PTGDR2ALDH1A1
SCHEMBL12777260 0.78 PTGDR2 (0.39) PTGS2PTGS1PTGDR2CYP11B1CYP11B2
SCHEMBL1650744 0.77 PTGDR2 (0.40) PTGS2PTGS1PTGDR2CYP11B1CYP11B2
SCHEMBL1333682 0.74 PTGDR2 (0.46) PTGS2PTGS1PTGDR2MEN1MAPT
SCHEMBL1333433 0.74 TSHR (0.50) PTGDR2
SCHEMBL1332199 0.74 MEN1 (0.57) PTGS2PTGS1PTGDR2MEN1ALDH1A1
SCHEMBL1333432 0.72 PTGDR2 (0.67) PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTGS2 525/4885PTGS1 351/4885PTGDR2 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.