SCHEMBL534136

SCHEMBL534136

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

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.62
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
DHFR P00374 1/20 0.31
HTT P42858 1/20 0.30
MBOAT4 Q96T53 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL3772517 0.93 PTGDR2 (0.66) PTGDR2ALDH1A1MAPTDHFRHTT
SCHEMBL3782624 0.92 PTGDR2 (0.63) PTGDR2ALDH1A1MAPTDHFRHTT
SCHEMBL2572551 0.91 PTGDR2 (0.62) PTGDR2ALDH1A1HTT
SCHEMBL2576482 0.91 PTGDR2 (0.62) PTGDR2ALDH1A1MAPTDHFRMBOAT4
SCHEMBL534256 0.91 PTGDR2 (0.73) PTGDR2MBOAT4
SCHEMBL534558 0.91 PTGDR2 (0.61) PTGDR2ALDH1A1MAPTDHFRHTT
SCHEMBL2574634 0.90 PTGDR2 (0.60) PTGDR2ALDH1A1MAPTDHFR
SCHEMBL534884 0.89 PTGDR2 (0.59) PTGDR2ALDH1A1MAPTDHFRHTT
SCHEMBL3779349 0.89 PTGDR2 (0.59) PTGDR2HTT
SCHEMBL534031 0.89 PTGDR2 (0.59) PTGDR2ALDH1A1MAPTDHFR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394830-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2013-03-12 US disclosed
US-20120184579-A1 Quinolines and Their Therapeutic Use GB005, INC. 2012-07-19 US disclosed
US-8173812-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2012-05-08 US disclosed
EP-2129661-B1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-02-08 EP disclosed
EP-2139881-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2011-11-09 EP disclosed
US-20100144786-A1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-06-10 US disclosed
US-20100144787-A1 Quinolines and Their Therapeutic Use GB005, INC. 2010-06-10 US disclosed
EP-2139881-A1 QUINOLINES AND THEIR THERAPEUTIC USE Argenta Oral Therapeutics Limited (GB) 2010-01-06 EP disclosed
EP-2129661-A1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS Argenta Oral Therapeutics Limited (GB) 2009-12-09 EP disclosed
WO-2008122784-A1 QUINOLINES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2008-10-16 WO 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 (3 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 75/4885ALDH1A1 2924/4885MAPT 3249/4885
US-20100144787-A1 Quinolines and Their Therapeutic Use CHRM3, CHRM2, HRH1 PTGDR2 301/4885ALDH1A1 2398/4885MAPT 4807/4885
US-20120184579-A1 Quinolines and Their Therapeutic Use HRH1, CHRM2, CHRM3 PTGDR2 316/4885ALDH1A1 2074/4885MAPT 4828/4885

“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.