SCHEMBL3265520

SCHEMBL3265520

COC(=O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 10/20 0.79
▸ CYSLTR2 Q9NS75 9/20 0.78
▸ CYP2C8 P10632 2/20 0.78
▸ MEN1 O00255 1/20 0.78
▸ RECQL P46063 1/20 0.78
▸ BLM P54132 1/20 0.78
▸ KMT2A Q03164 1/20 0.78
▸ ABCB11 O95342 1/20 0.78
▸ EGFR P00533 1/20 0.78
▸ ESR1 P03372 1/20 0.78
▸ NR3C1 P04150 1/20 0.78
▸ FYN P06241 1/20 0.78
▸ PGR P06401 1/20 0.78
▸ ADRB2 P07550 1/20 0.78
▸ ADRB1 P08588 1/20 0.78
▸ ADRA2A P08913 1/20 0.78
▸ ADORA3 P0DMS8 1/20 0.78
▸ CHRM1 P11229 1/20 0.78
▸ ADRB3 P13945 1/20 0.78
▸ ADRA2B P18089 1/20 0.78

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
SCHEMBL1401162 1.00 CYSLTR1 (0.79) CYSLTR1CYSLTR2CYP2C8MEN1RECQL
SCHEMBL10054292 1.00 CYSLTR1 (0.79) CYSLTR1CYSLTR2CYP2C8MEN1RECQL
SCHEMBL12724464 1.00 CYSLTR1 (0.79) CYSLTR1CYSLTR2CYP2C8MEN1RECQL
SCHEMBL5002515 0.93 CYSLTR1 (0.68) CYSLTR1CYSLTR2CYP2C8MEN1RECQL
SCHEMBL13042615 0.93 CYSLTR1 (0.68) CYSLTR1CYSLTR2CYP2C8MEN1RECQL
SCHEMBL5002518 0.93 CYSLTR1 (0.68) CYSLTR1CYSLTR2CYP2C8MEN1RECQL
SCHEMBL5002513 0.93 CYSLTR1 (0.68) CYSLTR1CYSLTR2CYP2C8MEN1RECQL
SCHEMBL8761836 0.92 CYSLTR1 (0.82) CYSLTR1CYSLTR2CYP2C8MEN1RECQL
SCHEMBL538484 0.92 CYSLTR1 (0.82) CYSLTR1CYSLTR2CYP2C8MEN1RECQL
SCHEMBL30719989 0.92 CYSLTR1 (0.82) 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185517-B1 PROCESS FOR PREPARING A LEUKOTRIENE ANTAGONIST AND AN INTERMEDIATE THEREOF MOEHS IBERICA SL (ES) 2012-09-19 — — EP disclosed
US-8163924-B2 Process for preparing a leukotriene antagonist and an intermediate thereof Moehs Ibérica, S.L. (ES) 2012-04-24 — — US disclosed
US-8163924-B2 Process for preparing a leukotriene antagonist and an intermediate thereof Moehs Ibérica, S.L. (ES) 2012-04-24 — — 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
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-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-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-7786138-B2 Process for making montelukast and intermediates therefor SYNTHON BV (NL) 2010-08-31 — — US disclosed
US-7786138-B2 Process for making montelukast and intermediates therefor SYNTHON BV (NL) 2010-08-31 — — US disclosed
US-20100204476-A1 Process for preparing a leukotriene antagonist and an intermediate thereof MOEHS IBERICA S.L. (ES) 2010-08-12 — — US disclosed
US-20070213365-A1 Novel polymorphs of montelukast ammonium salts and processes for preparation therefor CHEMAGIS LTD. (IL) 2007-09-13 — — US disclosed
US-20070213365-A1 Novel polymorphs of montelukast ammonium salts and processes for preparation therefor CHEMAGIS LTD. (IL) 2007-09-13 — — US disclosed
US-20070135480-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR SYNTHON BV (NL) 2007-06-14 — — 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-20070135642-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
US-20070135643-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR SYNTHON BV (NL) 2007-06-14 — — US disclosed
WO-2007057228-A1 A NEW INTERMEDIATE FOR MAKING MONTELUKAST AND RELATED COMPOUNDS SYNTHON B.V. (NL) 2007-05-24 — — WO disclosed
WO-2007004237-A2 A PROCESS FOR THE PREPARATION OF MONTELUKAST MATRIX LABORATORIES LTD (IN) 2007-01-11 — — 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 (5 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-20070213365-A1 Novel polymorphs of montelukast ammonium salts and processes for preparation therefor ATP6V1A, ATP6V1H, ATP6V1G1 CYSLTR1 27/4885CYSLTR2 103/4885CYP2C8 614/4885
US-20100204476-A1 Process for preparing a leukotriene antagonist and an intermediate thereof CYSLTR2, LTB4R2, LTA4H CYSLTR1 6/4885CYSLTR2 1/4885CYP2C8 1129/4885

“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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