Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 7/20 | 0.51 |
| ▸ | CA12 | O43570 | 6/20 | 0.51 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.51 |
| ▸ | MAOA | P21397 | 2/20 | 0.51 |
| ▸ | MAOB | P27338 | 2/20 | 0.51 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.51 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.51 |
| ▸ | SORD | Q00796 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | TNF | P01375 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.50 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL30801089 | 0.85 | CA12 (0.72) | CA9CA12AKR1B1MAOAMAOB | |
| SCHEMBL756721 | 0.85 | CA12 (0.72) | CA9CA12AKR1B1MAOAMAOB | |
| SCHEMBL7809251 | 0.84 | CA9 (0.50) | CA9CA12AKR1B1MAOAMAOB | |
| SCHEMBL2994964 | 0.84 | CA9 (0.51) | CA9CA12AKR1B1MAOAMAOB | |
| SCHEMBL27792831 | 0.83 | CYP11B1 (0.54) | CA9CA12AKR1B1MAOAMAOB | |
| SCHEMBL30228183 | 0.83 | CA9 (0.68) | CA9CA12AKR1B1MAOAMAOB | |
| SCHEMBL2979482 | 0.83 | CA9 (0.68) | CA9CA12AKR1B1MAOAMAOB | |
| SCHEMBL758311 | 0.78 | CYP19A1 (0.55) | CA9CA12AKR1B1MAOAMAOB | |
| SCHEMBL757787 | 0.77 | CA12 (0.71) | CA9CA12AKR1B1MAOAMAOB | |
| SCHEMBL4709189 | 0.76 | MCL1 (0.57) | CA9CA12AKR1B1MAOAMAOB |
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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1869031-B1 | THIADIAZOLE SUBSTITUTED COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITOR | MERCK CANADA INC (CA) | 2012-08-08 | — | — | EP | disclosed |
| EP-1869031-B1 | THIADIAZOLE SUBSTITUTED COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITOR | MERCK CANADA INC (CA) | 2012-08-08 | — | — | EP | disclosed |
| CN-102627638-A | Thiadiazole substituted coumarin derivatives and their use as leukotriene biosynthesis inhibitor | MERCK FROSST CANADA LTD | 2012-08-08 | — | — | CN | disclosed |
| US-20100137371-A1 | Novel Pharmaceutical Compounds | MERCK FROSST CANADA LTD. (CA) | 2010-06-03 | — | — | US | disclosed |
| US-20100137371-A1 | Novel Pharmaceutical Compounds | MERCK FROSST CANADA LTD. (CA) | 2010-06-03 | — | — | US | disclosed |
| US-20100137371-A1 | Novel Pharmaceutical Compounds | MERCK FROSST CANADA LTD. (CA) | 2010-06-03 | — | — | US | disclosed |
| CN-1802372-B | 7-[(1,3-thiazol-2-yl)thio]-coumarin derivatives and their use as leukotriene biosynthesis inhibitors | MERCK FROSST CANADA LTD | 2010-05-12 | — | — | CN | 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 |
| EP-1636222-A1 | 7-[(1,3-THIAZOL-2-YL)THIO]-COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITORS | Merck Frosst Canada Ltd. (CA) | 2006-03-22 | — | — | EP | disclosed |
| WO-2004108720-A1 | 7- (1, 3-THIAZOL-2-YL)THIO!-COUMARIN DERIVATIVES AND THEIR USE AS LEUKOTRIENE BIOSYNTHESIS INHIBITORS | MERCK FROSST CANADA LTD. (CA) | 2004-12-16 | — | — | WO | disclosed |
| EP-0788497-B1 | BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA INC (CA) | 2001-05-23 | — | — | EP | disclosed |
| EP-0788490-B1 | BISARYLCARBINOL CINNAMIC ACIDS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA INC (CA) | 2000-07-05 | — | — | EP | disclosed |
| EP-0788490-A1 | BISARYLCARBINOL CINNAMIC ACIDS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA INC. (CA) | 1997-08-13 | — | — | EP | disclosed |
| US-5576338-A | ANTIALLERGENS, ANTIHISTAMINES, ANTIINFLAMMATORY AGENTS AND CYTOPROTECTIVE AGENTS FOR CARDIOVASCULAR DISORDERS | MERCK FROSST CANADA, INC. (CA) | 1996-11-19 | — | — | US | disclosed |
| US-5552437-A | ANTIASTHMATIC, ANTIALLERGIC, ANTIINFLAMMATORY, AND CYTOPROTECTIVE AGENTS | MERCK FROSST CANADA, INC. (CA) | 1996-09-03 | — | — | US | disclosed |
| US-5527827-A | ANTIASTHMATIC, ANTIALLERGIC, ANTIINFLAMMATORY AND CYTOPROTECTIVE AGENTS | MERCK FROSST CANADA, INC. (CA) | 1996-06-18 | — | — | US | disclosed |
| WO-1996013491-A1 | BISARYLCARBINOL CINNAMIC ACIDS AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA INC. (CA) | 1996-05-09 | — | — | WO | disclosed |
| WO-1996013500-A1 | BISARYLCARBINOL DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS | MERCK FROSST CANADA INC. (CA) | 1996-05-09 | — | — | 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 (2 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100137371-A1 | Novel Pharmaceutical Compounds | LTC4S, LTA4H, LTB4R2 | CA9 2746/4885CA12 3849/4885AKR1B1 173/4885 |
| US-20090227638-A1 | Novel Pharmaceutical Compounds | LTC4S, LTB4R2, LTB4R | CA9 3221/4885CA12 4503/4885AKR1B1 786/4885 |
“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.