SCHEMBL4080293

SCHEMBL4080293

CCC(O)(CC)c1nnc(N)s1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
POLB P06746 3/20 0.35
F2 P00734 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL9712582 0.77 ALDH1A1 (0.50) ALDH1A1POLBHSD17B10PTGS1PTGS2
SCHEMBL22736874 0.77 ALDH1A1 (0.50) ALDH1A1POLBHSD17B10PTGS1PTGS2
SCHEMBL11908943 0.73 ALDH1A1 (0.47) ALDH1A1POLBHSD17B10GAA
SCHEMBL1691131 0.71 ALDH1A1 (0.48) ALDH1A1POLBF2HTTHSD17B10
SCHEMBL282538 0.70 ALDH1A1 (0.58) ALDH1A1POLBPTGS1PTGS2GAA
SCHEMBL3902817 0.69 ALDH1A1 (0.47) ALDH1A1POLBPTGS1PTGS2GAA
SCHEMBL3901800 0.68 ALDH1A1 (0.45) ALDH1A1POLBF2HTTHSD17B10
SCHEMBL19890809 0.67 ALDH1A1 (0.54) ALDH1A1POLBPTGS1PTGS2GAA
SCHEMBL15349261 0.67 ALDH1A1 (0.67) ALDH1A1POLBPTGS1PTGS2GAA
SCHEMBL11615294 0.67 ALDH1A1 (0.67) ALDH1A1POLBGAA

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869031-B1 THIADIAZOLE SUBSTITUTED COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITOR MERCK CANADA INC (CA) 2012-08-08 EP disclosed
US-20090227638-A1 Novel Pharmaceutical Compounds BLOUIN MARC 2009-09-10 US disclosed
US-20090227638-A1 Novel Pharmaceutical Compounds BLOUIN MARC 2009-09-10 US disclosed
US-20090227638-A1 Novel Pharmaceutical Compounds BLOUIN MARC 2009-09-10 US disclosed
US-7553973-B2 Pharmaceutical compounds MERCK FROSST CANADA LTD. (CA) 2009-06-30 US disclosed
US-7553973-B2 Pharmaceutical compounds MERCK FROSST CANADA LTD. (CA) 2009-06-30 US disclosed
US-7553973-B2 Pharmaceutical compounds MERCK FROSST CANADA LTD. (CA) 2009-06-30 US disclosed
US-20090054483-A1 Substituted Quinolines as Inhibitors of Leukotriene Biosynthesis MERCK FROSST CANADA LTD. (CA) 2009-02-26 US disclosed
US-20090054483-A1 Substituted Quinolines as Inhibitors of Leukotriene Biosynthesis MERCK FROSST CANADA LTD. (CA) 2009-02-26 US disclosed
US-20090054483-A1 Substituted Quinolines as Inhibitors of Leukotriene Biosynthesis MERCK FROSST CANADA LTD. (CA) 2009-02-26 US disclosed
US-20090030048-A1 Novel pharmaceutical compounds BLOUIN MARC 2009-01-29 US disclosed
US-20090030048-A1 Novel pharmaceutical compounds BLOUIN MARC 2009-01-29 US disclosed
EP-1934205-A1 SUBSTITUTED QUINOLINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS Merck Frosst Canada Ltd. (CA) 2008-06-25 EP disclosed
EP-1869031-A1 THIADIAZOLE SUBSTITUTED COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITOR Merck Frosst Canada Ltd. (CA) 2007-12-26 EP disclosed
US-20070149579-A1 Novel pharmaceutical compounds MERCK CANADA INC. (CA) 2007-06-28 US disclosed
US-20070149579-A1 Novel pharmaceutical compounds MERCK CANADA INC. (CA) 2007-06-28 US disclosed
US-20070149579-A1 Novel pharmaceutical compounds MERCK CANADA INC. (CA) 2007-06-28 US disclosed
WO-2007038865-A1 SUBSTITUTED QUINOLINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA LTD. (CA) 2007-04-12 WO disclosed
WO-2007038865-A1 SUBSTITUTED QUINOLINES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA LTD. (CA) 2007-04-12 WO disclosed
WO-2006099735-A1 THIADIAZOLE SUBSTITUTED COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITOR MERCK FROSST CANADA LTD. (CA) 2006-09-28 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 (4 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-20090054483-A1 Substituted Quinolines as Inhibitors of Leukotriene Biosynthesis LTC4S, LTA4H, LTB4R2 ALDH1A1 446/4885POLB 2424/4885F2 1022/4885
US-20090030048-A1 Novel pharmaceutical compounds LTA4H, LTB4R2, LTC4S ALDH1A1 431/4885POLB 3997/4885F2 390/4885
US-20070149579-A1 Novel pharmaceutical compounds LTA4H, LTB4R2, LTC4S ALDH1A1 431/4885POLB 3997/4885F2 390/4885
US-20090227638-A1 Novel Pharmaceutical Compounds LTC4S, LTB4R2, LTB4R ALDH1A1 1865/4885POLB 3878/4885F2 2518/4885

“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.