SCHEMBL6124878

SCHEMBL6124878

CCC1(CS[C@H](CCc2ccccc2C(C)(C)O)c2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)CC1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 5/20 0.84
▸ CYSLTR2 Q9NS75 4/20 0.84
▸ CYP2C8 P10632 2/20 0.84
▸ MEN1 O00255 1/20 0.84
▸ RECQL P46063 1/20 0.84
▸ BLM P54132 1/20 0.84
▸ KMT2A Q03164 1/20 0.84
▸ ABCB11 O95342 1/20 0.84
▸ EGFR P00533 1/20 0.84
▸ ESR1 P03372 1/20 0.84
▸ NR3C1 P04150 1/20 0.84
▸ FYN P06241 1/20 0.84
▸ PGR P06401 1/20 0.84
▸ ADRB2 P07550 1/20 0.84
▸ ADRB1 P08588 1/20 0.84
▸ ADRA2A P08913 1/20 0.84
▸ ADORA3 P0DMS8 1/20 0.84
▸ CHRM1 P11229 1/20 0.84
▸ ADRB3 P13945 1/20 0.84
▸ ADRA2B P18089 1/20 0.84

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
SCHEMBL13876266 1.00 CYSLTR1 (0.84) CYSLTR1CYSLTR2CYP2C8MEN1RECQL
SCHEMBL10054300 1.00 CYSLTR1 (0.84) CYSLTR1CYSLTR2CYP2C8MEN1RECQL
SCHEMBL5002328 0.94 CYSLTR1 (0.84) CYSLTR1CYSLTR2CYP2C8MEN1RECQL
SCHEMBL5002327 0.94 CYSLTR1 (0.84) CYSLTR1CYSLTR2CYP2C8MEN1RECQL
SCHEMBL5002330 0.94 CYSLTR1 (0.84) CYSLTR1CYSLTR2CYP2C8MEN1RECQL
SCHEMBL13597389 0.94 CYSLTR1 (0.83) CYSLTR1CYSLTR2CYP2C8MEN1RECQL
SCHEMBL12995888 0.93 CYSLTR1 (0.82) CYSLTR1CYSLTR2CYP2C8MEN1RECQL
SCHEMBL13854394 0.92 CYSLTR1 (0.81) CYSLTR1CYSLTR2CYP2C8MEN1RECQL
SCHEMBL14639925 0.92 CYSLTR1 (0.83) CYSLTR1CYSLTR2CYP2C8MEN1RECQL
SCHEMBL13806347 0.92 CYSLTR1 (0.83) CYSLTR1CYSLTR2CYP2C8MEN1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150374681-A1 CONTROLLED RELEASE COMPOSITIONS FOR TREATMENT OF COGNITIVE, EMOTIONAL AND MENTAL AILMENTS AND DISORDERS SCHULTZ JACK WILLIAM (US) 2015-12-31 — — US disclosed
US-20140087059-A1 PHARMACEUTICAL COMPOSITION AND PROCESS FOR MONTELUKAST TABLETS PHARMA PASS LLC (US) 2014-03-27 — — US disclosed
US-8426599-B2 Method for preparation of Montelukast acid in ionic liquid medium HANMI SCIENCE CO., LTD (KR) 2013-04-23 — — US disclosed
US-8217174-B2 Method of preparing montelukast and intermediates used therein HANMI HOLDINGS CO., LTD. (KR) 2012-07-10 — — US disclosed
EP-1948611-B1 Process for the preparation of a leukotriene antagonist and intermediates thereof ESTEVE QUIMICA SA (ES) 2012-05-23 — — EP disclosed
US-8178680-B2 Process for the preparation of Montelukast and its pharmaceutically acceptable salts MSN LABORATORIES LIMITED (IN) 2012-05-15 — — US disclosed
US-8115004-B2 Process for pure montelukast sodium through pure intermediates as well as amine salts MSN LABORATORIES LIMITED (IN) 2012-02-14 — — US disclosed
EP-2077996-B1 PURIFICATION PROCESS OF MONTELUKAST AND ITS AMINE SALTS ESTEVE QUIMICA SA (ES) 2011-07-06 — — EP disclosed
US-20110105757-A1 METHOD FOR PREPARATION OF MONTELUKAST ACID IN IONIC LIQUID MEDIUM HANMI PHARM. CO., LTD. (KR) 2011-05-05 — — US disclosed
US-7829716-B2 decyclization of {3-[(E)-2(7-chloro-2-quinolinyl)vinyl]phenyl}-4,5-dihydro-3H-benzo[c]thiepin-1-one by methylmagnesium halide with following conversion to montelukast Synthon Pharmaceuticals, Inc. (US) 2010-11-09 — — US disclosed
US-7470687-B2 Aryl oximes MERCK PATENT GMBH (DE) 2008-12-30 — — US disclosed
US-20080214822-A1 Process For the Preparation of a Leukotriene Antagonist MEDICHEM, S.A. (ES) 2008-09-04 — — US disclosed
WO-2008017667-A1 PROCESS FOR THE PURIFICATION OF MONTELUKAST Esteve Química, S.A. (ES) 2008-02-14 — — WO disclosed
WO-2008017669-A1 PURIFICATION PROCESS OF MONTELUKAST AND ITS AMINE SALTS ESTEVE QUÍMICA, S. A. (ES) 2008-02-14 — — WO disclosed
US-7312328-B2 Benzoylpyridazines MERCK PATENT GMBH (DE) 2007-12-25 — — US disclosed
US-20070208178-A1 Reacting the side-chain precursor 1-(mercaptomethyl)cyclopropaneacetic acid (not an ester) with 2-(2-(3S)-(3-(7-chloro-2-quinolinyl)-vinylphenyl)-3-(methanesulfonyloxypropyl)phenyl-2-propanol in a basic solvent mixture; forming an amine salt; and exchanging the amine cation with sodium; 99.5+% pure CHEMAGIS LTD. (IL) 2007-09-06 — — US disclosed
US-20070208177-A1 Novel process for preparing 1-(mercaptomethyl)cyclopropaneacetic acid, a useful intermediate in the preparation of montelukast and salts thereof CHEMAGIS LTD. (IL) 2007-09-06 — — US disclosed
US-20070135642-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR SYNTHON BV (NL) 2007-06-14 — — US disclosed
US-20070135480-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR SYNTHON BV (NL) 2007-06-14 — — US disclosed
US-20070135643-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR SYNTHON BV (NL) 2007-06-14 — — 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 (9 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-20070135480-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR LTC4S, LTA4H, CYSLTR1 CYSLTR1 3/4885CYSLTR2 10/4885CYP2C8 773/4885
US-20070135642-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR CYP4A11, CYP51A1, CYP4F11 CYSLTR1 9/4885CYSLTR2 19/4885CYP2C8 382/4885
US-20070135643-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR CMA1, CYP51A1, NOTUM CYSLTR1 5/4885CYSLTR2 11/4885CYP2C8 792/4885
US-20140087059-A1 PHARMACEUTICAL COMPOSITION AND PROCESS FOR MONTELUKAST TABLETS CMA1, MASTL, MAST3 CYSLTR1 19/4885CYSLTR2 36/4885CYP2C8 2423/4885
US-20150374681-A1 CONTROLLED RELEASE COMPOSITIONS FOR TREATMENT OF COGNITIVE, EMOTIONAL AND MENTAL AILMENTS AND DISORDERS CYSLTR1, CYSLTR2, GRIK2 CYSLTR1 1/4885CYSLTR2 2/4885CYP2C8 2503/4885
US-20070208178-A1 Reacting the side-chain precursor 1-(mercaptomethyl)cyclopropaneacetic acid (not an ester) with 2-(2-(3S)-(3-(7-chloro-2-quinolinyl)-vinylphenyl)-3-(methanesulfonyloxypropyl)phenyl-2-propanol in a basic solvent mixture; forming an amine salt; and exchanging the amine cation with sodium; 99.5+% pure CYSLTR2, MPST, CMA1 CYSLTR1 4/4885CYSLTR2 1/4885CYP2C8 1092/4885
US-20070208177-A1 Novel process for preparing 1-(mercaptomethyl)cyclopropaneacetic acid, a useful intermediate in the preparation of montelukast and salts thereof CMA1, CYSLTR1, MPST CYSLTR1 2/4885CYSLTR2 5/4885CYP2C8 1018/4885
US-20080214822-A1 Process For the Preparation of a Leukotriene Antagonist LTB4R2, LTC4S, LTB4R CYSLTR1 5/4885CYSLTR2 6/4885CYP2C8 1985/4885
US-20110105757-A1 METHOD FOR PREPARATION OF MONTELUKAST ACID IN IONIC LIQUID MEDIUM CYSLTR1, LTC4S, CYSLTR2 CYSLTR1 1/4885CYSLTR2 3/4885CYP2C8 3488/4885

“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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