SCHEMBL533907

SCHEMBL533907

CCc1nc2c(F)ccc(O)c2c(C)c1Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.38
PTGS1 P23219 2/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.35
CHRM4 P08173 2/20 0.35
GHSR Q92847 6/20 0.34
CCNB2 O95067 1/20 0.32
CCNE2 O96020 1/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
CCNB1 P14635 1/20 0.32
CCND1 P24385 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32

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
SCHEMBL533968 0.88 PTGS2 (0.38) PTGS2PTGS1PTGDR2CHRM4GHSR
SCHEMBL534036 0.83 CHRM4 (0.38) PTGS2PTGS1PTGDR2CHRM4
SCHEMBL534013 0.82 PTGDR2 (0.53) PTGDR2
SCHEMBL534018 0.81 PTGDR2 (0.44) PTGDR2CHRM4GHSR
SCHEMBL3345036 0.76 PTGS2 (0.41) PTGS2PTGS1PTGDR2
SCHEMBL3771921 0.75 CCNE2 (0.39) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL3777824 0.74 PTGS2 (0.37) PTGS2PTGS1PTGDR2CHRM4
SCHEMBL534931 0.73 CHRM4 (0.38) PTGS2PTGS1PTGDR2CHRM4GHSR
SCHEMBL534041 0.73 PTGDR2 (0.46) PTGDR2
SCHEMBL3773874 0.71 PTGDR2 (0.70) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2129661-B1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-02-08 EP claimed
EP-2129661-B1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-02-08 EP disclosed
US-20100144786-A1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-06-10 US disclosed
EP-2129661-A1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS Argenta Oral Therapeutics Limited (GB) 2009-12-09 EP disclosed
WO-2008119917-A1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS ARGENTA DISCOVERY LIMITED (GB) 2008-10-09 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-20100144786-A1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS NR1H2, GPR52, HRH2 PTGS2 127/4885PTGS1 320/4885PTGDR2 75/4885

“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.