SCHEMBL534032

SCHEMBL534032

CC(=O)C(Cc1ccc(C#N)cc1)C(=O)Nc1cc(O)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 1/20 0.39
LNPEP Q9UIQ6 3/20 0.38
ERAP2 Q6P179 2/20 0.38
NLRP3 Q96P20 1/20 0.36
ACACB O00763 1/20 0.36
ACLY P53396 1/20 0.36
TMPRSS4 Q9NRS4 1/20 0.36
FPR2 P25090 8/20 0.35
FPR1 P21462 7/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
LOXL2 Q9Y4K0 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
SCHEMBL3784633 0.87 GAA (0.42) GPR142LNPEPERAP2
SCHEMBL534144 0.87 ACACB (0.42) GPR142LNPEPERAP2NLRP3ACACB
SCHEMBL3785370 0.86 MDM2 (0.42) GPR142LNPEPERAP2NLRP3TMPRSS4
SCHEMBL2577121 0.85 LNPEP (0.39) LNPEPERAP2NLRP3ACACBFPR2
SCHEMBL3779263 0.82 ALDH1A1 (0.38) LNPEPERAP2
SCHEMBL2581345 0.81 LNPEP (0.41) LNPEPERAP2
SCHEMBL3783304 0.81 KIF11 (0.41) LNPEPERAP2
SCHEMBL2573357 0.77 TNIK (0.41)
SCHEMBL3778904 0.76 MAPT (0.43)
SCHEMBL3784324 0.75 MEN1 (0.53) LNPEPERAP2

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 GPR142 201/4885LNPEP 4003/4885ERAP2 593/4885

“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.