SCHEMBL4084878

SCHEMBL4084878

CCC(O)(CC)c1nnc(NCc2ccc3c(-c4cccc(OC(F)(F)F)c4)cc(=O)oc3c2)o1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 5/20 0.61
▸ ALDH1A1 P00352 6/20 0.39
▸ HPGD P15428 4/20 0.39
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ DGAT2 Q96PD7 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ KCNA3 P22001 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36

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
SCHEMBL4083470 0.92 ALOX5 (0.60) ALOX5ALDH1A1HPGDUSP2LMNA
SCHEMBL4076109 0.91 ALOX5 (0.58) ALOX5ALDH1A1HPGDUSP2LMNA
SCHEMBL4083429 0.88 ALOX5 (0.68) ALOX5ALDH1A1HPGDUSP2LMNA
SCHEMBL4082361 0.87 ALOX5 (0.62) ALOX5ALDH1A1HPGDUSP2LMNA
SCHEMBL4078102 0.86 ALOX5 (0.68) ALOX5ALDH1A1HPGDUSP2LMNA
SCHEMBL27720346 0.85 ALOX5 (0.60) ALOX5ALDH1A1HPGDUSP2LMNA
SCHEMBL4088580 0.84 ALOX5 (0.68) ALOX5ALDH1A1HPGDUSP2LMNA
SCHEMBL4080470 0.83 ALOX5 (0.82) ALOX5ALDH1A1HPGDUSP2LMNA
SCHEMBL27720336 0.80 ALOX5 (0.60) ALOX5ALDH1A1HPGDUSP2LMNA
SCHEMBL4080760 0.78 ALOX5 (0.67) ALOX5ALDH1A1HPGDLMNASMN1; SMN2

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 11 patents. 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 claimed
US-20090227638-A1 Novel Pharmaceutical Compounds BLOUIN MARC 2009-09-10 — — US claimed
US-7553973-B2 Pharmaceutical compounds MERCK FROSST CANADA LTD. (CA) 2009-06-30 — — US claimed
US-20070149579-A1 Novel pharmaceutical compounds MERCK CANADA INC. (CA) 2007-06-28 — — US claimed
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-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
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
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 (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 12/4885ALDH1A1 431/4885HPGD 136/4885
US-20070149579-A1 Novel pharmaceutical compounds LTA4H, LTB4R2, LTC4S ALOX5 12/4885ALDH1A1 431/4885HPGD 136/4885
US-20090227638-A1 Novel Pharmaceutical Compounds LTC4S, LTB4R2, LTB4R ALOX5 10/4885ALDH1A1 1865/4885HPGD 895/4885

“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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