SCHEMBL2395063

SCHEMBL2395063

CS(=O)(=O)c1ccc(Oc2cc(F)ccc2N)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.44
PTGS1 P23219 3/20 0.44
EPAS1 Q99814 3/20 0.44
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
SLC6A4 P31645 2/20 0.42
BRD4 O60885 2/20 0.42
G6PD P11413 1/20 0.41
IDE P14735 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
SLC6A2 P23975 2/20 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
SCHEMBL4876608 0.87 ALDH1A1 (0.41) EPAS1SLC6A4BRD4CA12CA1
SCHEMBL4873559 0.86 PTGS2 (0.55) PTGS2PTGS1EPAS1ALOX5APFEN1
SCHEMBL3929611 0.85 EPAS1 (0.45) PTGS2PTGS1EPAS1ALOX5APFEN1
SCHEMBL3929614 0.84 EPAS1 (0.44) PTGS2PTGS1EPAS1SLC6A4BRD4
SCHEMBL5570083 0.78 PTGS2 (0.47) PTGS2PTGS1EPAS1ALOX5APFEN1
SCHEMBL28360593 0.78 TTR (0.50) SLC6A4SLC6A2SLC6A3
SCHEMBL2397557 0.78 CHRM1 (0.51) PTGS2SLC6A4
SCHEMBL1333674 0.78 PTGDR2 (0.58)
SCHEMBL1333655 0.77 PPARA (0.46) PTGS2EPAS1SLC6A4BRD4
SCHEMBL15067648 0.76 PTGS2 (0.56) PTGS2PTGS1EPAS1SLC6A4BRD4

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-1765768-B1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2013-11-06 EP disclosed
CN-102557971-A Substituted acids for the treatment of respiratory diseases ASTRAZENECA AB 2012-07-11 CN disclosed
CN-101014564-B Substituted acids for the treatment of respiratory diseases ASTRAZENECA AB 2012-05-09 CN disclosed
US-8022248-B2 3-[2-(3-Cyanophenoxy)-4-(trifluoromethyl)phenyl]propanoic acid;prostaglandin D2 inhibitor, orphan receptor CRTH2 antagonist; antiinflammatory, analgesic, antipyretic; respiratory system disorders: asthma and rhinitis; coupling amino/thio-phenyl derivatives with ester followed by hydrolysis to acid ASTRAZENECA AB (SE) 2011-09-20 US disclosed
US-20080114002-A1 Substituted Acids for the Treatment of Respiratory Diseases ASTRAZENECA AB (SE) 2008-05-15 US disclosed
EP-1765768-A1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES AstraZeneca AB (SE) 2007-03-28 EP disclosed
WO-2006005909-A1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2006-01-19 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-20080114002-A1 Substituted Acids for the Treatment of Respiratory Diseases HRH2, HRH1, HRH4 PTGS2 376/4885PTGS1 231/4885EPAS1 3046/4885

“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.