SCHEMBL2079843

SCHEMBL2079843

O=C(O)C(CS)C1CC1.[Na].[Na]

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 8/20 0.70
CPB2 Q96IY4 8/20 0.70
PTGS1 P23219 1/20 0.37
SLC7A11 Q9UPY5 1/20 0.37
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
ENPEP Q07075 3/20 0.33
ANPEP P15144 2/20 0.33

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
SCHEMBL989518 0.98
SCHEMBL25389365 0.88 CPN1 (0.68) CPN1CPB2PTGS1SLC7A11CYP2C9
SCHEMBL2353967 0.83 CPN1 (1.00) CPN1CPB2
SCHEMBL9063708 0.76
SCHEMBL2354051 0.76 CPN1 (1.00) CPN1CPB2
SCHEMBL3179113 0.75
SCHEMBL2349599 0.74 CPN1 (1.00) CPN1CPB2CYP2C9CYP2C19HIF1A
SCHEMBL2352986 0.74 CPN1 (1.00) CPN1CPB2
Lithium Ion SCHEMBL4370616 0.74 CPN1 (0.47) CPN1CPB2
SCHEMBL11369626 0.73

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 5 patents. 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-20100204476-A1 Process for preparing a leukotriene antagonist and an intermediate thereof MOEHS IBERICA S.L. (ES) 2010-08-12 US disclosed
EP-2185517-A1 PROCESS FOR PREPARING A LEUKOTRIENE ANTAGONIST AND AN INTERMEDIATE THEREOF Moehs Ibérica, S.L. (ES) 2010-05-19 EP disclosed
WO-2009016191-A1 PROCESS FOR PREPARING A LEUKOTRIENE ANTAGONIST AND AN INTERMEDIATE THEREOF Moehs Ibérica, S.L. (ES) 2009-02-05 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 (1 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-20100204476-A1 Process for preparing a leukotriene antagonist and an intermediate thereof CYSLTR2, LTB4R2, LTA4H CPN1 2919/4885CPB2 1403/4885PTGS1 57/4885

“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.