SCHEMBL3356855

SCHEMBL3356855

O=C(O)c1ccccc1CC[C@H](O)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR2 Q9NS75 1/20 0.57
▸ CYSLTR1 Q9Y271 1/20 0.57

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
SCHEMBL11969735 1.00 CYSLTR2 (0.57) CYSLTR2CYSLTR1
SCHEMBL692811 1.00 CYSLTR2 (0.57) CYSLTR2CYSLTR1
SCHEMBL692812 1.00 CYSLTR2 (0.57) CYSLTR2CYSLTR1
SCHEMBL4300160 1.00 CYSLTR2 (0.57) CYSLTR2CYSLTR1
Water SCHEMBL3030652 0.99 CYSLTR2 (0.56) CYSLTR2CYSLTR1
Water SCHEMBL3030658 0.99 CYSLTR2 (0.56) CYSLTR2CYSLTR1
SCHEMBL13381684 0.92 — —
SCHEMBL30360356 0.92 — —
SCHEMBL9583242 0.92 — —
SCHEMBL30360325 0.92 — —

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2288595-B1 AN IMPROVED PROCESS FOR PREPARING MONTELUKAST AND SALTS THEREOF LAURUS LABS PRIVATE LTD (IN) 2016-11-02 — — EP disclosed
WO-2010064257-A1 NOVEL INTERMEDIATES FOR PRODUCING [R-(E)]-1-[[[1-[3-[2-(7- CHLORO -QUINOLINYL)ETHENYL]PHENYL]-3-[2-(1-HYDROXY- METHYLETHYL) PHENYL]PROPYL]THIO] METHYL] CYCLOPROPANEACETIC ACID, MONOSODIUM SALT AND PROCESS THEREOF INNOGENT LABORATORIES PRIVATE LIMITED (IN) 2010-06-10 — — WO disclosed
WO-2009144742-A2 AN IMPROVED PROCESS FOR PREPARING MONTELUKAST AND SALTS THEREOF APTUIT LAURUS PVT LIMITED (IN) 2009-12-03 — — WO disclosed
US-20090171092-A1 Process for the Preparation of Montelukast and Its Pharmaceutically Acceptable Salts MSN LABORATORIES LIMITED (IN) 2009-07-02 — — US disclosed
US-20060004204-A1 Process for preparation of montelukast and its salts REGURI BUCHI R 2006-01-05 — — US disclosed
US-20050107612-A1 Process for preparation of montelukast and its salts DR. REDDY'S LABORATORIES LIMITED 2005-05-19 — — US disclosed
EP-0500360-B1 Quinoline-containing ketoacids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1997-06-25 — — EP disclosed
US-5212180-A Quinoline-containing ketoacids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-05-18 — — US disclosed
EP-0500360-A1 Quinoline-containing ketoacids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-08-26 — — EP disclosed
EP-0480717-A1 Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-04-15 — — 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 (3 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-20050107612-A1 Process for preparation of montelukast and its salts MPST, CMA1, TPMT CYSLTR2 27/4885CYSLTR1 18/4885
US-20090171092-A1 Process for the Preparation of Montelukast and Its Pharmaceutically Acceptable Salts CMA1, TPSD1, AP1S1 CYSLTR2 32/4885CYSLTR1 23/4885
US-20060004204-A1 Process for preparation of montelukast and its salts MPST, CMA1, TPMT CYSLTR2 27/4885CYSLTR1 18/4885

“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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