SCHEMBL534034

SCHEMBL534034

COC(=O)COc1ccc(F)c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.52
SYK P43405 3/20 0.49
PDK2 Q15119 1/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL1094231 0.88 SYK (0.46) PTGS2SYKPDK2ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL1094227 0.86 SYK (0.45) PTGS2SYKPDK2ALDH1A1KDM4E
SCHEMBL16566924 0.86 GAA (0.55) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL29991893 0.83 ALDH1A1 (0.53) PTGS2ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL23121220 0.83 ALDH1A1 (0.53) PTGS2ALDH1A1KDM4EHSD17B10MEN1
SCHEMBL31415218 0.82 PTPN7 (0.53) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL31150276 0.81 PTGS2 (0.49) PTGS2SYKPDK2ALDH1A1KDM4E
SCHEMBL25289926 0.81 PTGS2 (0.49) PTGS2SYKPDK2ALDH1A1KDM4E
SCHEMBL534024 0.81 PTGS2 (0.52) PTGS2PDK2ALDH1A1KDM4EHSD17B10
Hydrochloric Acid SCHEMBL30278928 0.80 ALDH1A1 (0.57) PTGS2ALDH1A1KDM4EHSD17B10MEN1

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 21 patents — showing the first 20. 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
CN-101679359-B Quinolines and their therapeutic use ARGENTA DISCOVERY LTD 2013-03-06 CN disclosed
EP-1928457-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-12-12 EP 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
CN-101316591-B Quinoline compound and pharmaceutical application thereof ARGENTA ORAL THERAPEUTICS LTD. (GB) 2012-02-01 CN disclosed
EP-2139881-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2011-11-09 EP disclosed
US-7858640-B2 Quinolines and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-12-28 US disclosed
US-20100144786-A1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2010-06-10 US disclosed
CN-101715441-A Quinoline derivatives as CRTH2 receptor ligands ARGENTA DISCOVERY LTD 2010-05-26 CN disclosed
CN-101679359-A Quinolines and their therapeutic use ARGENTA DISCOVERY LTD 2010-03-24 CN 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
US-20090156600-A1 Quinolines and Their Therapeutic Use GB005, INC. 2009-06-18 US disclosed
CN-101316591-A Quinolines and their therapeutic use ARGENTA DISCOVERY LTD (GB) 2008-12-03 CN 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
EP-1928457-A2 QUINOLINES AND THEIR THERAPEUTIC USE Argenta Discovery Limited (GB) 2008-06-11 EP disclosed
WO-2007036743-A2 QUINOLINES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2007-04-05 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 PTGS2 127/4885SYK 4173/4885PDK2 596/4885
US-20090156600-A1 Quinolines and Their Therapeutic Use NR3C1, NR3C2, NR1H3 PTGS2 821/4885SYK 1981/4885PDK2 2085/4885
US-20120184579-A1 Quinolines and Their Therapeutic Use HRH1, CHRM2, CHRM3 PTGS2 1551/4885SYK 2376/4885PDK2 1467/4885

“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.