SCHEMBL534018

SCHEMBL534018

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.44
TSHR P16473 4/20 0.37
HTT P42858 2/20 0.35
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRM4 P08173 1/20 0.34
ALOX15 P16050 1/20 0.34
GHSR Q92847 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK8 P45983 2/20 0.33
MAPK9 P45984 2/20 0.33
MAPK10 P53779 2/20 0.33
P2RX7 Q99572 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
SCHEMBL534013 0.91 PTGDR2 (0.53) PTGDR2
SCHEMBL3779349 0.87 PTGDR2 (0.59) PTGDR2TSHRHTTGAASMN1; SMN2
SCHEMBL534205 0.86 PTGDR2 (0.38) PTGDR2TSHRHTTGAASMN1; SMN2
SCHEMBL3778423 0.85 PTGDR2 (0.41) PTGDR2TSHRHTTGAASMN1; SMN2
SCHEMBL3780766 0.81 TSHR (0.41) PTGDR2TSHRHTTGAASMN1; SMN2
SCHEMBL533907 0.81 PTGS2 (0.38) PTGDR2CHRM4GHSR
SCHEMBL3779603 0.81 KDM4E (0.39) PTGDR2TSHRHTTGAASMN1; SMN2
SCHEMBL3778006 0.80 PTGDR2 (0.59) PTGDR2TSHRHTTGAASMN1; SMN2
SCHEMBL3348846 0.80 TSHR (0.36) PTGDR2TSHRHTTGAASMN1; SMN2
SCHEMBL533968 0.80 PTGS2 (0.38) PTGDR2CHRM4GHSR

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 447/4885HTT 4143/4885

“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.