SCHEMBL625848

SCHEMBL625848

COC(=O)CC1(CSC(C)=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
TP53 P04637 1/20 0.34
TSHR P16473 3/20 0.33
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL10054297 0.82 TP53 (0.37) MGAMGAASIMGAM2TP53
SCHEMBL9200803 0.82 GAA (0.38) MGAMGAASIMGAM2HSD17B10
SCHEMBL17233403 0.80 TSHR (0.46) MGAMGAASIMGAM2TP53
SCHEMBL2855195 0.79 CYP1A2 (0.39) TSHR
SCHEMBL15453370 0.78 MGAM (0.48) MGAMGAASIMGAM2TP53
SCHEMBL31180081 0.78 TP53 (0.34) MGAMGAASIMGAM2TP53
SCHEMBL25487122 0.74 CYP2C19 (0.32)
SCHEMBL8798449 0.74 CYP2C19 (0.32)
SCHEMBL13435347 0.74 TSHR (0.40) MGAMGAASIMGAM2TP53
SCHEMBL1484429 0.74 TSHR (0.40) MGAMGAASIMGAM2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114889-B1 METHOD OF PREPARING MONTELUKAST AND INTERMEDIATES USED THEREIN HANMI SCIENCE CO LTD (KR) 2014-01-22 EP disclosed
CN-101921220-B Pharmaceutical compositions for treating diseases with bone mass loss having EP4 agonist as the active ingredient ONO PHARMACEUTICAL CO 2013-05-22 CN disclosed
US-8426599-B2 Method for preparation of Montelukast acid in ionic liquid medium HANMI SCIENCE CO., LTD (KR) 2013-04-23 US disclosed
EP-2195295-B1 METHOD FOR THE PREPARATION OF MONTELUKAST ACID IN IONIC LIQUID MEDIUM HANMI SCIENCE CO LTD (KR) 2013-01-23 EP disclosed
US-20120202773-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF DISEASES ASSOCIATED WITH DECREASE IN BONE MASS COMPRISING EP4 AGONIST AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2012-08-09 US disclosed
US-8217174-B2 Method of preparing montelukast and intermediates used therein HANMI HOLDINGS CO., LTD. (KR) 2012-07-10 US disclosed
US-8207223-B2 Pharmaceutical composition for treatment of diseases associated with decrease in bone mass comprising EP4 agonist as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2012-06-26 US disclosed
WO-2012020271-A1 PROCESS FOR THE PREPARATION OF MONTELUKAST SODIUM RICHTER GEDEON NYRT. (HU) 2012-02-16 WO disclosed
US-20110105757-A1 METHOD FOR PREPARATION OF MONTELUKAST ACID IN IONIC LIQUID MEDIUM HANMI PHARM. CO., LTD. (KR) 2011-05-05 US disclosed
CN-101921220-A Treat the EP that contains with the bone mass loss diseases associated 4Agonist is as the pharmaceutical composition of activeconstituents ONO PHARMACEUTICAL CO 2010-12-22 CN disclosed
US-5856322-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS MERCK FROSST CANADA, INC. (CA) 1999-01-05 US disclosed
EP-0480717-B1 Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1998-04-15 EP disclosed
EP-0500360-B1 Quinoline-containing ketoacids as leukotriene antagonists MERCK FROSST CANADA INC (CA) 1997-06-25 EP disclosed
US-5565473-A USEFUL AS ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND CYTOPROTECTIVE AGENTS; MONTELUKAST AND ITS SODIUM SALT MERCK FROSST CANADA, INC. (CA) 1996-10-15 US disclosed
US-5428033-A Useful as anti-asthmatic, anti-allergic, anti-inflammatory and cytoprotecyive agents MERCK FROSST CANADA, INC. (CA) 1995-06-27 US disclosed
US-5270324-A Fluorinated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-12-14 US 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
EP-0480716-A1 Saturated 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-20120202773-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF DISEASES ASSOCIATED WITH DECREASE IN BONE MASS COMPRISING EP4 AGONIST AS ACTIVE INGREDIENT PTGER4, PTGER1, PTGER2 MGAM 3411/4885GAA 3466/4885SI 2520/4885
US-20110105757-A1 METHOD FOR PREPARATION OF MONTELUKAST ACID IN IONIC LIQUID MEDIUM CYSLTR1, LTC4S, CYSLTR2 MGAM 2466/4885GAA 3454/4885SI 98/4885

“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.