SCHEMBL534033

SCHEMBL534033

CCOC(=O)C(Cc1ccc(Cl)cc1)C(=O)CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.49
MMP8 P22894 1/20 0.49
PPARA Q07869 4/20 0.43
PPARG P37231 3/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TNF P01375 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
CCR6 P51684 1/20 0.43
RUNX1 Q01196 1/20 0.43
CBFB Q13951 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
NOD2 Q9HC29 1/20 0.43
GPR35 Q9HC97 1/20 0.43
NOD1 Q9Y239 1/20 0.43

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
SCHEMBL2672619 0.90 MMP8 (0.54) EPHX2MMP8PPARAPPARGMAPT
SCHEMBL25403051 0.87 MMP8 (0.55) EPHX2MMP8PPARAPPARGMAPT
SCHEMBL901841 0.87 EPHX2 (0.49) EPHX2MMP8PPARAPPARGMAPT
SCHEMBL15274695 0.87 EPHX2 (0.49) EPHX2MMP8PPARAPPARGMAPT
SCHEMBL901733 0.86 EPHX2 (0.50) EPHX2MMP8PPARAPPARGMAPT
SCHEMBL534123 0.84 MMP8 (0.52) MMP8MAPTLMNANPSR1ALDH1A1
SCHEMBL3784871 0.84 PPARG (0.49) EPHX2MMP8PPARGMAPTLMNA
SCHEMBL2428822 0.84 SMN1; SMN2 (0.52) MMP8MAPTLMNAALDH1A1KDM4E
SCHEMBL15262431 0.83 TSHR (0.42) MMP8MAPTLMNAALDH1A1KDM4E
SCHEMBL534859 0.83 ALDH1A1 (0.48) EPHX2MMP8PPARAPPARGLMNA

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-20130252951-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS PROXIMAGEN LIMITED (GB) 2013-09-26 US disclosed
CN-103328479-A 7-hydroxy-pyrazolo [1,5-a ] pyrimidine compounds and their use as CCR2 receptor antagonists PROXIMAGEN LTD 2013-09-25 CN disclosed
EP-1928457-B1 QUINOLINES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-12-12 EP disclosed
EP-2129661-B1 QUINOLINE DERIVATIVES AS CRTH2 RECEPTOR LIGANDS PULMAGEN THERAPEUTICS ASTHMA LTD (GB) 2012-02-08 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
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
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 EPHX2 1648/4885MMP8 2193/4885PPARA 624/4885
US-20090156600-A1 Quinolines and Their Therapeutic Use NR3C1, NR3C2, NR1H3 EPHX2 1169/4885MMP8 992/4885PPARA 718/4885
US-20130252951-A1 7-HYDROXY-PYRAZOLO[1,5-A] PYRIMIDINE COMPOUNDS AND THEIR USE AS CCR2 RECEPTOR ANTAGONISTS CCR2, CCR5, CCR1 EPHX2 849/4885MMP8 1240/4885PPARA 259/4885

“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.