SCHEMBL2734690

SCHEMBL2734690

CC(=O)S[C@H](CCc1ccccc1C(C)(C)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 3/20 0.73
▸ CYP2C8 P10632 2/20 0.73
▸ CYSLTR2 Q9NS75 2/20 0.73
▸ MEN1 O00255 1/20 0.73
▸ RECQL P46063 1/20 0.73
▸ BLM P54132 1/20 0.73
▸ KMT2A Q03164 1/20 0.73
▸ ABCB11 O95342 1/20 0.73
▸ EGFR P00533 1/20 0.73
▸ ESR1 P03372 1/20 0.73
▸ NR3C1 P04150 1/20 0.73
▸ FYN P06241 1/20 0.73
▸ PGR P06401 1/20 0.73
▸ ADRB2 P07550 1/20 0.73
▸ ADRB1 P08588 1/20 0.73
▸ ADRA2A P08913 1/20 0.73
▸ ADORA3 P0DMS8 1/20 0.73
▸ CHRM1 P11229 1/20 0.73
▸ ADRB3 P13945 1/20 0.73
▸ ADRA2B P18089 1/20 0.73

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
SCHEMBL2850594 1.00 CYSLTR1 (0.73) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL2850591 1.00 CYSLTR1 (0.73) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL14218222 0.91 CYSLTR1 (0.73) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL8497839 0.88 CYSLTR1 (0.77) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL8499234 0.88 CYSLTR1 (0.74) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL8500042 0.88 CYSLTR1 (0.72) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL8496694 0.88 CYSLTR1 (0.72) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL8500819 0.88 CYSLTR1 (0.72) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL1132498 0.87 — —
SCHEMBL2547277 0.87 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
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-20100099879-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR BENOVSKY PETR 2010-04-22 — — US disclosed
US-20100099879-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR BENOVSKY PETR 2010-04-22 — — US disclosed
US-7601741-B2 Process for making montelukast and intermediates therefor SYNTHON BV (NL) 2009-10-13 — — US disclosed
US-7601741-B2 Process for making montelukast and intermediates therefor SYNTHON BV (NL) 2009-10-13 — — US disclosed
US-7476748-B2 Process for making montelukast and intermediates therefor SYNTHON BV (NL) 2009-01-13 — — US disclosed
US-7476748-B2 Process for making montelukast and intermediates therefor SYNTHON BV (NL) 2009-01-13 — — 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-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
US-20070135643-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR SYNTHON BV (NL) 2007-06-14 — — US disclosed
WO-2007057227-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR SYNTHON B.V. (NL) 2007-05-24 — — WO disclosed
WO-2007057225-A2 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR SYNTHON B.V. (NL) 2007-05-24 — — 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 (4 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 3/4885CYP2C8 773/4885CYSLTR2 10/4885
US-20070135642-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR CYP4A11, CYP51A1, CYP4F11 CYSLTR1 9/4885CYP2C8 382/4885CYSLTR2 19/4885
US-20070135643-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR CMA1, CYP51A1, NOTUM CYSLTR1 5/4885CYP2C8 792/4885CYSLTR2 11/4885
US-20100099879-A1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR CMA1, CYP51A1, NOTUM CYSLTR1 5/4885CYP2C8 792/4885CYSLTR2 11/4885

“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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