SCHEMBL4076130

SCHEMBL4076130

CCC(O)(c1nnc(N(Cc2ccc3c(-c4ccc(F)cc4)cc(=O)oc3c2)C(=O)c2ccc(Br)cc2)o1)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 8/20 0.63
▸ GRM2 Q14416 11/20 0.37
▸ GRM3 Q14832 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
SCHEMBL4075887 0.89 ALOX5 (0.69) ALOX5GRM2GRM3
SCHEMBL4075973 0.86 ALOX5 (0.71) ALOX5GRM2GRM3
SCHEMBL4078591 0.83 ALOX5 (0.68) ALOX5GRM2GRM3
SCHEMBL4078588 0.80 ALOX5 (0.55) ALOX5GRM2
Setileuton SCHEMBL1528740 0.78 ALOX5 (1.00) ALOX5GRM2GRM3
Setileuton SCHEMBL13691961 0.78 ALOX5 (1.00) ALOX5GRM2GRM3
Setileuton SCHEMBL29371714 0.78 ALOX5 (1.00) ALOX5GRM2GRM3
Setileuton SCHEMBL1528741 0.78 ALOX5 (1.00) ALOX5GRM2GRM3
SCHEMBL4085404 0.78 ALOX5 (0.79) ALOX5GRM2GRM3
SCHEMBL4075997 0.76 ALOX5 (0.57) ALOX5GRM2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227638-A1 Novel Pharmaceutical Compounds BLOUIN MARC 2009-09-10 — — US claimed
EP-1869031-A1 THIADIAZOLE SUBSTITUTED COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITOR Merck Frosst Canada Ltd. (CA) 2007-12-26 — — EP claimed
US-20070149579-A1 Novel pharmaceutical compounds MERCK CANADA INC. (CA) 2007-06-28 — — US claimed
WO-2006099735-A1 THIADIAZOLE SUBSTITUTED COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITOR MERCK FROSST CANADA LTD. (CA) 2006-09-28 — — WO claimed
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-20090030048-A1 Novel pharmaceutical compounds BLOUIN MARC 2009-01-29 — — US disclosed
US-20070149579-A1 Novel pharmaceutical compounds MERCK CANADA INC. (CA) 2007-06-28 — — US 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 (3 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-20090030048-A1 Novel pharmaceutical compounds LTA4H, LTB4R2, LTC4S ALOX5 12/4885GRM2 4272/4885GRM3 4007/4885
US-20070149579-A1 Novel pharmaceutical compounds LTA4H, LTB4R2, LTC4S ALOX5 12/4885GRM2 4272/4885GRM3 4007/4885
US-20090227638-A1 Novel Pharmaceutical Compounds LTC4S, LTB4R2, LTB4R ALOX5 10/4885GRM2 2837/4885GRM3 1728/4885

“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.

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