SCHEMBL534697

SCHEMBL534697

CCc1[nH]c2c(F)ccc(OCC(=O)OC)c2c(=O)c1Cc1cccc(S(C)(=O)=O)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.33
TSHR P16473 2/20 0.33
PI4KB Q9UBF8 2/20 0.33
PLA2G1B P04054 1/20 0.33
PLA2G2A P14555 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCNT1 O60563 2/20 0.32
CDK9 P50750 2/20 0.32
PARP1 P09874 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNQ3 O43525 2/20 0.32
KCNQ2 O43526 2/20 0.32
PDE10A Q9Y233 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
SCHEMBL3779431 0.90 PTGDR2 (0.37) PTGDR2TSHRGAAHTTSMN1; SMN2
SCHEMBL3777868 0.85 TSHR (0.39) PTGDR2TSHRGAAHTTSMN1; SMN2
SCHEMBL3776184 0.84 TSHR (0.36) PTGDR2TSHRGAAHTTSMN1; SMN2
SCHEMBL3779461 0.83 ALDH1A1 (0.41) PTGDR2PLA2G2AKMT2AGAASMN1; SMN2
SCHEMBL3779428 0.82 PTGDR2 (0.36) PTGDR2TSHRPLA2G2AGAAHTT
SCHEMBL2575631 0.82 ERAP1 (0.35) MEN1KMT2AGAASMN1; SMN2PDE10A
SCHEMBL2573624 0.82 ALDH1A1 (0.34) PTGDR2PLA2G2AMEN1KMT2AHTT
SCHEMBL534053 0.81 MAOB (0.34) PTGDR2PLA2G2AKMT2ACDK9
SCHEMBL3777589 0.79 TSHR (0.40) PTGDR2TSHRGAAHTTSMN1; SMN2
SCHEMBL3778224 0.79 ALDH1A1 (0.37) MEN1KMT2APDE10A

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 447/4885PI4KB 2475/4885

“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.