SCHEMBL201960

SCHEMBL201960

COC(=O)c1ccccc1CCC(=O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 4/20 0.49
▸ CYSLTR1 Q9Y271 4/20 0.49
▸ PTGER1 P34995 1/20 0.48
▸ PTGER4 P35408 1/20 0.48
▸ PTGER3 P43115 1/20 0.48
▸ PTGER2 P43116 1/20 0.48

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
SCHEMBL201961 1.00 CYSLTR2 (0.49) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL29517073 1.00 CYSLTR2 (0.49) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL30497375 1.00 CYSLTR2 (0.49) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL14843923 0.90 CYSLTR2 (0.46) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL27935898 0.90 CYSLTR2 (0.46) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL9108250 0.90 CYSLTR2 (0.46) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL9108247 0.90 CYSLTR2 (0.46) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL692870 0.89 CYSLTR2 (0.52) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL692871 0.89 CYSLTR2 (0.52) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3
SCHEMBL13992167 0.88 CYSLTR2 (0.47) CYSLTR2CYSLTR1PTGER1PTGER4PTGER3

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 126 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8617853-B2 Ketoreductase polypeptides for the production of (S,E)-methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-hydroxypropyl)benzoate CODEXIS, INC. (US) 2013-12-31 — — US claimed
US-20120184000-A1 KETOREDUCTASE POLYPEPTIDES FOR THE PRODUCTION OF (S,E)-METHYL 2-(3-(3-(2-(7-CHLOROQUINOLIN-2-YL)VINYL)PHENYL)-3-HYDROXYPROPYL)BENZOATE CODEXIS, INC. (US) 2012-07-19 — — US claimed
US-8088610-B2 Ketoreductases for the production of (S,E)-methyl 2-(3-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-hroxypropyl)benzoate CODEXIS, INC. (US) 2012-01-03 — — US claimed
EP-2094665-A2 PREPARATION OF MONTELUKAST AND ITS SALTS Dr. Reddy's Laboratories Ltd. (IN) 2009-09-02 — — EP claimed
US-20090155863-A1 KETOREDUCTASE POLYPEPTIDES AND USES THEREOF CODEXIS, INC. (US) 2009-06-18 — — US claimed
WO-2008058118-A2 PREPARATION OF MONTELUKAST AND ITS SALTS DR. REDDY'S LABORTORIES, LTD. (IN) 2008-05-15 — — WO claimed
US-20060223999-A1 Process for preparing montelukast and precursors thereof CHEMAGIS LTD. (IL) 2006-10-05 — — US claimed
CN-117003639-A Preparation method of methyl o-iodobenzoate 宿迁盛基医药科技有限公司 2023-11-07 — — CN disclosed
CN-116606250-A Preparation method of key intermediate of montelukast sodium 江苏阿尔法药业股份有限公司 2023-08-18 — — CN disclosed
CN-116514711-A New synthesis process of key intermediate of montelukast sodium 江苏阿尔法药业股份有限公司 2023-08-01 — — CN disclosed
CN-116410091-A Compound for preparing montelukast sodium intermediate, method and related compound application and method for preparing montelukast sodium intermediate 南京欧信医药技术有限公司 2023-07-11 — — CN disclosed
CN-112724082-B Preparation method of montelukast sodium drug intermediate 江苏阿尔法药业股份有限公司 2022-05-13 — — CN disclosed
CN-112724082-A Preparation method of montelukast sodium drug intermediate 江苏阿尔法药业有限公司 2021-04-30 — — CN disclosed
US-5427933-A Bioconversion MERCK & CO., INC. (US) 1995-06-27 — — US disclosed
US-5270324-A Fluorinated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-12-14 — — US disclosed
US-5212180-A Quinoline-containing ketoacids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-05-18 — — US disclosed
US-5204358-A Antiallergens; antiinflammatory agents; treatment of asthma, rhinitis, bronchitis and skin diseases MERCK FROSST CANADA, INC. (CA) 1993-04-20 — — US disclosed
EP-0500360-A1 Quinoline-containing ketoacids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-08-26 — — EP disclosed
US-5104882-A Leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1992-04-14 — — US disclosed
EP-0399818-A1 Diarylstyrylquinoline diacids MERCK FROSST CANADA INC. (CA) 1990-11-28 — — EP 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090155863-A1 KETOREDUCTASE POLYPEPTIDES AND USES THEREOF TKT, DCXR, AKR1B1 CYSLTR2 3723/4885CYSLTR1 3689/4885PTGER1 4410/4885
US-20060223999-A1 Process for preparing montelukast and precursors thereof CMA1, LTC4S, LTB4R2 CYSLTR2 5/4885CYSLTR1 16/4885PTGER1 224/4885

“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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