SCHEMBL4080760

SCHEMBL4080760

CCC(O)(CC)c1nnc(NCc2ccc3c(-c4ccc(F)cc4F)cc(=O)oc3c2)o1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 5/20 0.67
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ FFAR1 O14842 1/20 0.33
▸ PIM1 P11309 3/20 0.33
▸ PIM3 Q86V86 3/20 0.33
▸ HPGD P15428 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.31
▸ CDC7 O00311 1/20 0.31
▸ CCNE1 P24864 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ DBF4 Q9UBU7 1/20 0.31

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
SCHEMBL4080470 0.89 ALOX5 (0.82) ALOX5CA12CA9KDM4ESMN1; SMN2
SCHEMBL4083429 0.87 ALOX5 (0.68) ALOX5CA12CA9KDM4ESMN1; SMN2
SCHEMBL27720336 0.84 ALOX5 (0.60) ALOX5KDM4EHPGDALDH1A1LMNA
SCHEMBL4078102 0.84 ALOX5 (0.68) ALOX5CA12CA9KDM4ESMN1; SMN2
SCHEMBL4078770 0.81 ALOX5 (0.81) ALOX5CA12CA9KDM4EHPGD
SCHEMBL15275058 0.81 ALOX5 (0.81) ALOX5CA12CA9KDM4EHPGD
SCHEMBL4137861 0.81 ALOX5 (0.70) ALOX5CA12CA9KDM4ESMN1; SMN2
SCHEMBL4088580 0.81 ALOX5 (0.68) ALOX5KDM4EHPGDALDH1A1LMNA
SCHEMBL4082361 0.81 ALOX5 (0.62) ALOX5CA12CA9KDM4ESMN1; SMN2
Setileuton SCHEMBL1528741 0.80 ALOX5 (1.00) ALOX5KDM4EHPGDALDH1A1LMNA

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
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
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 12/4885CA12 4324/4885CA9 3599/4885
US-20070149579-A1 Novel pharmaceutical compounds LTA4H, LTB4R2, LTC4S ALOX5 12/4885CA12 4324/4885CA9 3599/4885
US-20090227638-A1 Novel Pharmaceutical Compounds LTC4S, LTB4R2, LTB4R ALOX5 10/4885CA12 4503/4885CA9 3221/4885

“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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