SCHEMBL4078588

SCHEMBL4078588

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 6/20 0.55
▸ HPGD P15428 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ NOD2 Q9HC29 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ NOD1 Q9Y239 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GRM2 Q14416 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 0.91 ALOX5 (0.69) ALOX5HPGDALDH1A1KDM4ELMNA
SCHEMBL4075997 0.89 ALOX5 (0.57) ALOX5HPGDALDH1A1KDM4ELMNA
SCHEMBL27720327 0.81 ALOX5 (0.49) ALOX5HPGDALDH1A1KDM4ELMNA
SCHEMBL4080470 0.80 ALOX5 (0.82) ALOX5HPGDALDH1A1KDM4ELMNA
SCHEMBL4075973 0.80 ALOX5 (0.71) ALOX5GRM2
SCHEMBL4076130 0.80 ALOX5 (0.63) ALOX5GRM2
SCHEMBL4137861 0.80 ALOX5 (0.70) ALOX5HPGDALDH1A1KDM4ELMNA
SCHEMBL4078591 0.78 ALOX5 (0.68) ALOX5GRM2
SCHEMBL27720328 0.77 ALOX5 (0.47) ALOX5HPGDALDH1A1KDM4ELMNA
SCHEMBL4080140 0.74 ALOX5 (0.57) ALOX5HPGDALDH1A1KDM4ELMNA

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
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
CN-101146802-A Thiadiazole-substituted coumarin derivatives and their use as leukotriene biosynthesis inhibitors MERCK FROSST CANADA LTD (CA) 2008-03-19 — — CN 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 12/4885HPGD 136/4885ALDH1A1 431/4885
US-20070149579-A1 Novel pharmaceutical compounds LTA4H, LTB4R2, LTC4S ALOX5 12/4885HPGD 136/4885ALDH1A1 431/4885
US-20090227638-A1 Novel Pharmaceutical Compounds LTC4S, LTB4R2, LTB4R ALOX5 10/4885HPGD 895/4885ALDH1A1 1865/4885

“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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