SCHEMBL533980

SCHEMBL533980

CCc1nc2c(Cl)ccc(OCC(=O)OC)c2c(OC(F)F)c1Cc1ccc(C#N)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.41
EPHX2 P34913 1/20 0.34
KMT2A Q03164 2/20 0.33
CETP P11597 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
PDE5A O76074 5/20 0.33
NR3C1 P04150 2/20 0.33
LMNA P02545 1/20 0.31
CTSA P10619 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
EIF4EBP1 Q13541 1/20 0.31

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
SCHEMBL533922 0.92 PTGDR2 (0.49) PTGDR2EPHX2CETPMRGPRX4EIF4EBP1
SCHEMBL534686 0.90 PTGDR2 (0.49) PTGDR2KMT2ACETPHPGDKDM4E
SCHEMBL534580 0.87 MRGPRX4 (0.35) PTGDR2EPHX2KMT2ACETPHPGD
SCHEMBL3781705 0.85 PTGDR2 (0.48) PTGDR2KMT2AHPGDKDM4EMAPT
SCHEMBL3777093 0.84 PTGDR2 (0.52) PTGDR2KMT2AHPGDKDM4EMAPT
SCHEMBL534010 0.84 PTGDR2 (0.32) PTGDR2EPHX2MAPTLMNA
SCHEMBL534009 0.84 PTGDR2 (0.32) PTGDR2EPHX2KDM4EMAPTLMNA
SCHEMBL3776143 0.83 PTGDR2 (0.51) PTGDR2KMT2AHPGDKDM4EMAPT
SCHEMBL3772684 0.82 PTGDR2 (0.54) PTGDR2KMT2AKDM4EMAPTLMNA
SCHEMBL534813 0.82 PTGDR2 (0.58) PTGDR2KMT2ACETPKDM4EMAPT

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 75/4885EPHX2 1648/4885KMT2A 2755/4885

“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.