SCHEMBL534097

SCHEMBL534097

CCc1nc2c(F)ccc(OCC(=O)OC)c2c(OC(F)F)c1Cc1cccc(S(C)(=O)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.55
PI4KB Q9UBF8 3/20 0.34
TSHR P16473 2/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DHFR P00374 2/20 0.31
PTK2 Q05397 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
PLA2G1B P04054 1/20 0.31
PLA2G2A P14555 1/20 0.31
VNN1 O95497 1/20 0.31
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL534029 0.92 PTGDR2 (0.64) PTGDR2NR1H2NR1H3PDE4APDE4B
SCHEMBL3779349 0.91 PTGDR2 (0.59) PTGDR2TSHRGAAHTTSMN1; SMN2
SCHEMBL3775974 0.86 PTGDR2 (0.48) PTGDR2TSHRGAAHTTSMN1; SMN2
SCHEMBL3778006 0.86 PTGDR2 (0.59) PTGDR2TSHRGAAHTTSMN1; SMN2
SCHEMBL534041 0.84 PTGDR2 (0.46) PTGDR2PI4KBNR1H2NR1H3PDE4A
SCHEMBL3772517 0.84 PTGDR2 (0.66) PTGDR2GAAHTTSMN1; SMN2DHFR
SCHEMBL3782624 0.84 PTGDR2 (0.63) PTGDR2TSHRGAAHTTSMN1; SMN2
SCHEMBL534040 0.84 PTGDR2 (0.45) PTGDR2PI4KBNR1H2NR1H3PDE4A
SCHEMBL2574634 0.83 PTGDR2 (0.60) PTGDR2DHFR
SCHEMBL2572551 0.83 PTGDR2 (0.62) PTGDR2PDE4APDE4BPDE4CPDE4D

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 75/4885PI4KB 2475/4885TSHR 447/4885

“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.