SCHEMBL2395800

SCHEMBL2395800

CS(=O)(=O)OCc1ccc(C(F)(F)F)cc1Oc1cccc(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 8/20 0.46
VEGFA P15692 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.43
HTR2A P28223 3/20 0.41
SLC6A4 P31645 3/20 0.41
KCNH2 Q12809 3/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LRRK2 Q5S007 1/20 0.37
AR P10275 1/20 0.36
MEN1 O00255 1/20 0.36
CNR1 P21554 1/20 0.36
GPR183 P32249 1/20 0.36
CNR2 P34972 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5570087 0.94 EPAS1 (0.42) EPAS1VEGFAMRGPRX4HTR2ASLC6A4
SCHEMBL2398431 0.81 MRGPRX4 (0.46) EPAS1VEGFAMRGPRX4HTR2ASLC6A4
SCHEMBL2393446 0.77 PPARG (0.47) EPAS1VEGFAMRGPRX4PTGDR2
SCHEMBL4874724 0.77 PTGDR2 (0.48) EPAS1VEGFAMRGPRX4HTR2ASLC6A4
SCHEMBL5574572 0.76 PTGDR2 (0.47) EPAS1VEGFAMRGPRX4HTR2ASLC6A4
SCHEMBL2393357 0.76 PTGDR2 (0.43) EPAS1VEGFAMRGPRX4HTR2ASLC6A4
SCHEMBL2394657 0.74 EPAS1 (0.46) EPAS1VEGFAMRGPRX4PTGDR2L3MBTL1
SCHEMBL5574574 0.73 PTGDR2 (0.45) EPAS1VEGFAMRGPRX4HTR2ASLC6A4
SCHEMBL29777469 0.73 MRGPRX4 (0.48) EPAS1VEGFAMRGPRX4PTGDR2L3MBTL1
SCHEMBL3712674 0.73 TRPV4 (0.39) HTR2AKCNH2SLC22A12CNR1

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
EP-1765768-B1 SUBSTITUTED ACIDS FOR THE TREATMENT OF RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2013-11-06 EP 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

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 EPAS1 3046/4885VEGFA 2367/4885MRGPRX4 7/4885

“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.