SCHEMBL692811

SCHEMBL692811

O=C(O)c1ccccc1CCC(O)c1cccc(/C=C/c2ccc3ccc(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
SCHEMBL692812 1.00 CYSLTR2 (0.57) CYSLTR2CYSLTR1
SCHEMBL4300160 1.00 CYSLTR2 (0.57) CYSLTR2CYSLTR1
SCHEMBL3356855 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203557-B1 KETOREDUCTASE POLYPEPTIDES AND USES THEREOF CODEXIS INC (US) 2012-02-29 — — EP claimed
EP-2736885-B1 QUINOLINE-, QUINOXALINE OR BENZOTHIAZOLE BASED CYSTEINYL LEUKOTRIENE ANTAGONISTS (LTC4) SUN PHARMA ADVANCED RES CO LTD (IN) 2020-03-25 — — EP disclosed
US-9102665-B2 Cysteinyl leukotriene antagonists SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2015-08-11 — — US disclosed
US-20140155596-A1 CYSTEINYL LEUKOTRIENE ANTAGONISTS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2014-06-05 — — US disclosed
EP-2736885-A2 CYSTEINYL LEUKOTRIENE ANTAGONISTS Sun Pharma Advanced Research Company Ltd (IN) 2014-06-04 — — EP disclosed
CN-103842344-A Cystelinyl leukotriene antagonists based on quinolin, quinoxaline or benz[c]thiazole SUN PHARMA ADVANCED RES CO LTD 2014-06-04 — — CN disclosed
WO-2013051024-A2 CYSTEINYL LEUKOTRIENE ANTAGONISTS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2013-04-11 — — WO disclosed
US-20120215002-A1 SYNTHESIS OF OPTICALLY ACTIVE INTERMEDIATE FOR THE PREPARATION OF MONTELUKAST DSM IP ASSETS B.V. (NL) 2012-08-23 — — US disclosed
EP-2486015-A1 SYTHESIS OF OPTICALLY ACTIVE INTERMEDIATE FOR THE PREPARATION OF MONTELUKAST DSM IP Assets B.V. (NL) 2012-08-15 — — EP 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
EP-2014633-A1 Process for the production of tertiary alcohols LONZA AG (CH) 2009-01-14 — — 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 (2 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-20120215002-A1 SYNTHESIS OF OPTICALLY ACTIVE INTERMEDIATE FOR THE PREPARATION OF MONTELUKAST ADH5, ADH1A, ADH1C CYSLTR2 51/4885CYSLTR1 31/4885
US-20140155596-A1 CYSTEINYL LEUKOTRIENE ANTAGONISTS LTC4S, CYSLTR2, CYSLTR1 CYSLTR2 2/4885CYSLTR1 3/4885

“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.

Send feedback