SCHEMBL205210

SCHEMBL205210

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 3/20 0.58
▸ CYP2C8 P10632 2/20 0.58
▸ CYSLTR2 Q9NS75 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ ABCB11 O95342 1/20 0.58
▸ EGFR P00533 1/20 0.58
▸ ESR1 P03372 1/20 0.58
▸ NR3C1 P04150 1/20 0.58
▸ FYN P06241 1/20 0.58
▸ PGR P06401 1/20 0.58
▸ ADRB2 P07550 1/20 0.58
▸ ADRB1 P08588 1/20 0.58
▸ ADRA2A P08913 1/20 0.58
▸ ADORA3 P0DMS8 1/20 0.58
▸ CHRM1 P11229 1/20 0.58
▸ ADRB3 P13945 1/20 0.58
▸ ADRA2B P18089 1/20 0.58

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
SCHEMBL205211 1.00 CYSLTR1 (0.58) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL8500076 0.95 CYP2C8 (0.57) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL8500074 0.95 CYP2C8 (0.57) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL8496432 0.89 CYSLTR1 (0.49) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL8496429 0.89 CYSLTR1 (0.49) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL13950635 0.87 CYSLTR2 (0.50) CYSLTR1CYSLTR2MEN1KMT2AABCB11
SCHEMBL29120427 0.86 CYP2C8 (0.47) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL692870 0.84 CYSLTR2 (0.52) CYSLTR1CYSLTR2
SCHEMBL692871 0.84 CYSLTR2 (0.52) CYSLTR1CYSLTR2
SCHEMBL27531782 0.84 CYSLTR1 (0.58) CYSLTR1CYP2C8CYSLTR2MEN1RECQL

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 29 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
EP-2203557-B1 KETOREDUCTASE POLYPEPTIDES AND USES THEREOF CODEXIS INC (US) 2012-02-29 — — EP claimed
US-20090155863-A1 KETOREDUCTASE POLYPEPTIDES AND USES THEREOF CODEXIS, INC. (US) 2009-06-18 — — US claimed
EP-4321156-A1 FILM-COATED TABLET WITH IMPROVED STABILITY CONTAINING MONTELUKAST OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND LEVOCETIRIZINE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Han Wha Pharma Co., Ltd. (KR) 2024-02-14 — — EP disclosed
WO-2023068839-A1 FILM-COATED TABLET WITH IMPROVED STABILITY CONTAINING MONTELUKAST OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF AND LEVOCETIRIZINE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 한화제약주식회사 2023-04-27 — — WO disclosed
CN-111110679-A Pharmaceutical composition containing montelukast sodium 长春海悦药业股份有限公司 2020-05-08 — — CN disclosed
WO-2014081616-A1 PREPARATION OF PRECURSORS FOR LEUKOTRIENE ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-05-30 — — WO disclosed
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 disclosed
US-8569508-B2 Synthetic method for montelukast sodium intermediate SHANDONG NEW TIME PHARMACEUTICAL CO., LTD. (CN) 2013-10-29 — — US disclosed
US-8569508-B2 Synthetic method for montelukast sodium intermediate SHANDONG NEW TIME PHARMACEUTICAL CO., LTD. (CN) 2013-10-29 — — US disclosed
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 disclosed
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 disclosed
WO-2011026398-A1 SYNTHETIC METHOD OF MONTELUKAST SODIUM INTERMEDIATE 山东新时代药业有限公司 (CN) 2011-03-10 — — WO disclosed
WO-2010148209-A2 PREPARATION OF MONTELUKAST DR. REDDY'S LABORATORIES LTD. (IN) 2010-12-23 — — WO disclosed
WO-2010148209-A2 PREPARATION OF MONTELUKAST DR. REDDY'S LABORATORIES LTD. (IN) 2010-12-23 — — WO disclosed
US-20090155863-A1 KETOREDUCTASE POLYPEPTIDES AND USES THEREOF CODEXIS, INC. (US) 2009-06-18 — — US disclosed
US-20090155863-A1 KETOREDUCTASE POLYPEPTIDES AND USES THEREOF CODEXIS, INC. (US) 2009-06-18 — — US disclosed
US-20090155863-A1 KETOREDUCTASE POLYPEPTIDES AND USES THEREOF CODEXIS, INC. (US) 2009-06-18 — — US disclosed
WO-2009042984-A1 KETOREDUCTASE POLYPEPTIDES AND USES THEREOF CODEXIS, INC. (US) 2009-04-02 — — 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 (1 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 CYSLTR1 3689/4885CYP2C8 787/4885CYSLTR2 3723/4885

“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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