SCHEMBL533999

SCHEMBL533999

CC(=O)C(Cc1ccc(C#N)cc1)C(=O)SC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
HTT P42858 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
CYP2A6 P11509 1/20 0.38
DPP4 P27487 3/20 0.37
FAP Q12884 2/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 0.37
DPP7 Q9UHL4 2/20 0.37
MAOB P27338 1/20 0.37
GSK3B P49841 1/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
ACACB O00763 3/20 0.36
CTSC P53634 1/20 0.36
ACE P12821 1/20 0.36
CTBP2 P56545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
IDO1 P14902 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
SCHEMBL4071057 0.83 LOXL2 (0.50) HTTLOXL2CYP2A6DPP4FAP
SCHEMBL3779844 0.81 TRPA1 (0.39) ACE
SCHEMBL2576380 0.81 MME (0.43) MAOBACACBRAB9A
SCHEMBL3775578 0.81 CYP3A4 (0.40) HTTACACBACE
SCHEMBL3785349 0.78 EPHX2 (0.39) EPHX2ACEALDH1A1
SCHEMBL3776009 0.77 PSIP1 (0.41) ALDH1A1
SCHEMBL5329020 0.74 MMP8 (0.47) LOXL2CYP2A6MAOBACACBALDH1A1
SCHEMBL3103660 0.73 LDHA (0.52) HTTLOXL2CYP2A6DPP4FAP
SCHEMBL19369762 0.72 LOXL2 (0.48) HTTLOXL2CYP2A6DPP4FAP
SCHEMBL2438942 0.72 LOXL2 (0.48) HTTLOXL2CYP2A6DPP4FAP

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 EPHX2 1648/4885HTT 4143/4885LOXL2 438/4885

“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.