SCHEMBL534205

SCHEMBL534205

CCc1c(Cc2ccc(S(C)(=O)=O)cc2)c(C)nc2c(F)ccc(OCC(=O)OC)c12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.38
TSHR P16473 4/20 0.37
CHRM4 P08173 1/20 0.36
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PI4KB Q9UBF8 1/20 0.34
ALOX15 P16050 1/20 0.34
PTGS2 P35354 2/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TLR7 Q9NYK1 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL534778 0.91 PTGDR2 (0.48) PTGDR2CHRM4
SCHEMBL534018 0.86 PTGDR2 (0.44) PTGDR2TSHRCHRM4HTTGAA
SCHEMBL3779349 0.81 PTGDR2 (0.59) PTGDR2TSHRHTTGAASMN1; SMN2
SCHEMBL3778423 0.81 PTGDR2 (0.41) PTGDR2TSHRHTTGAASMN1; SMN2
SCHEMBL534036 0.80 CHRM4 (0.38) PTGDR2CHRM4PTGS2
SCHEMBL3779500 0.80 LMNA (0.38) PTGDR2TSHRHTTGAASMN1; SMN2
SCHEMBL3780766 0.80 TSHR (0.41) PTGDR2TSHRCHRM4HTTGAA
SCHEMBL3778548 0.80 TSHR (0.42) PTGDR2TSHRHTTGAASMN1; SMN2
SCHEMBL534931 0.79 CHRM4 (0.38) PTGDR2CHRM4PTGS2
SCHEMBL534013 0.77 PTGDR2 (0.53) 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 4 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 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 PTGDR2 75/4885TSHR 447/4885CHRM4 1424/4885

“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.