SCHEMBL533893

SCHEMBL533893

CCC(=O)C(Cc1ccc(C#N)cc1Cl)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.41
MRGPRX4 Q96LA9 2/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
EPHX2 P34913 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
AR P10275 1/20 0.37
KCNH2 Q12809 2/20 0.36
HTR2A P28223 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
GPR35 Q9HC97 1/20 0.36
NCEH1 Q6PIU2 1/20 0.36
MCL1 Q07820 1/20 0.35

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
SCHEMBL3775566 0.83 CYP3A4 (0.47) ALDH1A1HTTMEN1KMT2AGAA
SCHEMBL11116918 0.82 CYP3A4 (0.44) P2RX7MRGPRX4PDK1PDK2PDK3
SCHEMBL3784948 0.81 L3MBTL1 (0.44) P2RX7ALDH1A1HTTNPSR1KMT2A
SCHEMBL11114541 0.79 ALDH1A1 (0.48) P2RX7MRGPRX4PDK1PDK2PDK3
SCHEMBL3777240 0.78 ALDH1A1 (0.40) PDK1PDK2PDK3PDK4EPHX2
SCHEMBL25152801 0.74 CTSL (0.45) PDK1PDK2PDK3PDK4
SCHEMBL3778025 0.73 CYP3A4 (0.38) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL30154475 0.73 P2RX7 (0.47) P2RX7MRGPRX4PDK1PDK2PDK3
SCHEMBL14810013 0.73 P2RX7 (0.47) P2RX7MRGPRX4PDK1PDK2PDK3
SCHEMBL31295843 0.72 ACACB (0.39) ALDH1A1ARKCNH2HTR2AMEN1

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 P2RX7 240/4885MRGPRX4 16/4885PDK1 1841/4885

“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.