SCHEMBL533901

SCHEMBL533901

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.46
RAB9A P51151 1/20 0.44
CYP2A6 P11509 1/20 0.42
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAOB P27338 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.40
CTSG P08311 3/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CMA1 P23946 2/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2672524 0.91 MMP8 (0.50) MMP8RAB9ACYP2A6MAPTTDP1
SCHEMBL4028528 0.88 MMP8 (0.51) MMP8RAB9ACYP2A6MAPTTDP1
SCHEMBL4610170 0.88 CYP2A6 (0.50) RAB9ACYP2A6MAOBTSHR
SCHEMBL5329020 0.87 MMP8 (0.47) MMP8RAB9ACYP2A6MAPTTDP1
SCHEMBL534123 0.81 MMP8 (0.52) MMP8MAPTSMN1; SMN2MAPK1NPSR1
SCHEMBL3784871 0.81 PPARG (0.49) MMP8MAPTTDP1MAPK1NPSR1
SCHEMBL534033 0.81 EPHX2 (0.49) MMP8RAB9AMAPTSMN1; SMN2TSHR
SCHEMBL9253966 0.80 MME (0.47) MMP8MAPTTDP1SMN1; SMN2ALDH1A1
SCHEMBL6161194 0.79 DPP4 (0.47) RAB9ACYP2A6MAPTTDP1MAOB
SCHEMBL534859 0.79 ALDH1A1 (0.48) MMP8MAOBSMN1; SMN2TSHRLMNA

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 MMP8 2193/4885RAB9A 2479/4885CYP2A6 3185/4885

“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.