SCHEMBL534884

SCHEMBL534884

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

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.59
FAAH O00519 1/20 0.32
CXCR1 P25024 1/20 0.31
CXCR2 P25025 1/20 0.31
ALDH1A1 P00352 4/20 0.31
LMNA P02545 1/20 0.31
SYK P43405 1/20 0.31
MCL1 Q07820 1/20 0.31
MAPT P10636 3/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PDE5A O76074 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
DHFR P00374 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
SCHEMBL533970 0.93 PTGDR2 (0.68) PTGDR2FAAHALDH1A1LMNAHTT
SCHEMBL2572569 0.93 PTGDR2 (0.56) PTGDR2
SCHEMBL3772517 0.91 PTGDR2 (0.66) PTGDR2CXCR1CXCR2ALDH1A1MAPT
SCHEMBL3782624 0.90 PTGDR2 (0.63) PTGDR2ALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL534136 0.89 PTGDR2 (0.62) PTGDR2ALDH1A1MAPTHTTDHFR
SCHEMBL2576482 0.89 PTGDR2 (0.62) PTGDR2ALDH1A1SYKMAPTPDE5A
SCHEMBL2572551 0.89 PTGDR2 (0.62) PTGDR2ALDH1A1HTT
SCHEMBL2574709 0.89 PTGDR2 (0.58) PTGDR2LMNASYKMAPTHTT
SCHEMBL534558 0.88 PTGDR2 (0.61) PTGDR2ALDH1A1MAPTHTTDHFR
SCHEMBL2574634 0.88 PTGDR2 (0.60) 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 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 75/4885FAAH 420/4885CXCR1 67/4885

“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.