Methanesulfonic Acid Ethyl Ester

Methanesulfonic Acid Ethyl Ester

SCHEMBL4022952

CCOS(C)(=O)=O.CCc1cccnc1

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 3/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAMPT P43490 1/20 0.41
GRM2 Q14416 1/20 0.41
NAPRT Q6XQN6 1/20 0.41

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
SCHEMBL556847 0.81 CHRNB2 (0.46) CHRNB2CHRNA4TDP1L3MBTL1NAMPT
SCHEMBL29615841 0.80
SCHEMBL10607 0.80
SCHEMBL1162017 0.79 CHRNA7 (0.49) CHRNB2CHRNA4TDP1L3MBTL1
SCHEMBL28227322 0.79 CHRNB2 (0.45) ALDH1A1CHRNB2CHRNA4TDP1L3MBTL1
Hydrochloric Acid SCHEMBL9846665 0.78
Hydrochloric Acid SCHEMBL11425908 0.78 ALDH1A1 (0.63) ALDH1A1NPSR1CHRNB2CHRNA4TDP1
Bromide SCHEMBL17353583 0.78
Iodide SCHEMBL29656767 0.78
Ammonia Solution, Strong SCHEMBL5999609 0.78

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
US-20090216024-A1 Processes for making pioglitazone and compounds of the processes ZHU JIE 2009-08-27 US disclosed
US-7541470-B2 Processes for making pioglitazone and compounds of the processes SYNTHON IP INC. (US) 2009-06-02 US disclosed
US-20070167629-A1 Processes for making pioglitazone and compounds of the processes SYNTHON IP INC. 2007-07-19 US disclosed
EP-1716144-A2 PROCESSES FOR MAKING PIOGLITAZONE AND COMPOUNDS OF THE PROCESSES Synthon B.V. (NL) 2006-11-02 EP disclosed
WO-2005080387-A2 PROCESSES FOR MAKING PIOGLITAZONE AND COMPOUNDS OF THE PROCESSES SYNTHON B.V. (NL) 2005-09-01 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 (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-20090216024-A1 Processes for making pioglitazone and compounds of the processes PDK4, PDK2, DPP4 ALDH1A1 1918/4885NPSR1 1805/4885CHRNB2 4677/4885
US-20070167629-A1 Processes for making pioglitazone and compounds of the processes PDK4, PDK2, DPP4 ALDH1A1 1918/4885NPSR1 1805/4885CHRNB2 4677/4885

“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.