SCHEMBL534558

SCHEMBL534558

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.61
DHFR P00374 3/20 0.34
KMT2A Q03164 2/20 0.32
GHSR Q92847 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TTR P02766 1/20 0.31
HTT P42858 1/20 0.30
AURKA O14965 1/20 0.30
MAP4K4 O95819 1/20 0.30
PAK4 O96013 1/20 0.30
ABL1 P00519 1/20 0.30
FYN P06241 1/20 0.30
RET P07949 1/20 0.30
LTK P29376 1/20 0.30
KDR P35968 1/20 0.30
MAPK8 P45983 1/20 0.30
CSNK1A1 P48729 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 0.92 PTGDR2 (0.66) PTGDR2DHFRKMT2AMAPTALDH1A1
SCHEMBL3782624 0.91 PTGDR2 (0.63) PTGDR2DHFRKMT2AMAPTALDH1A1
SCHEMBL534038 0.91 PTGDR2 (0.72) PTGDR2DHFRKMT2AGHSRMAOA
SCHEMBL534136 0.91 PTGDR2 (0.62) PTGDR2DHFRMAPTALDH1A1HTT
SCHEMBL2576482 0.91 PTGDR2 (0.62) PTGDR2DHFRMAPTALDH1A1
SCHEMBL2572551 0.91 PTGDR2 (0.62) PTGDR2KMT2AALDH1A1HTT
SCHEMBL2574634 0.89 PTGDR2 (0.60) PTGDR2DHFRMAPTALDH1A1
SCHEMBL3779875 0.89 PTGDR2 (0.58) PTGDR2KMT2AALDH1A1
SCHEMBL534884 0.88 PTGDR2 (0.59) PTGDR2DHFRMAPTALDH1A1HTT
SCHEMBL3779349 0.88 PTGDR2 (0.59) PTGDR2GHSRHTTMAPK8

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-20100144787-A1 Quinolines and Their Therapeutic Use GB005, INC. 2010-06-10 US disclosed
US-20100144786-A1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 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 75/4885DHFR 1926/4885KMT2A 2755/4885
US-20100144787-A1 Quinolines and Their Therapeutic Use CHRM3, CHRM2, HRH1 PTGDR2 301/4885DHFR 919/4885KMT2A 2390/4885
US-20120184579-A1 Quinolines and Their Therapeutic Use HRH1, CHRM2, CHRM3 PTGDR2 316/4885DHFR 930/4885KMT2A 2344/4885

“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.