Methanesulfonic Acid Methyl Ester

Methanesulfonic Acid Methyl Ester

SCHEMBL3901628

CC(C)(C)OC(=O)N[C@@H]1C=CCC1.COS(C)(=O)=O

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 5/20 0.47
NFKB2 Q00653 5/20 0.47
RELA Q04206 5/20 0.47
MAPT P10636 1/20 0.38
BTK Q06187 1/20 0.37
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CTSK P43235 2/20 0.35
CXCR2 P25025 1/20 0.34
MAOB P27338 2/20 0.33
GAA P10253 2/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
EPHX2 P34913 1/20 0.33
EPHX1 P07099 1/20 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
SCHEMBL22241778 0.90 NFKB1 (0.55) NFKB1NFKB2RELAMAPTBTK
SCHEMBL2630503 0.90 NFKB1 (0.55) NFKB1NFKB2RELAMAPTBTK
SCHEMBL2630498 0.90 NFKB1 (0.55) NFKB1NFKB2RELAMAPTBTK
Bicarbonate SCHEMBL6014904 0.87 NFKB1 (0.53) NFKB1NFKB2RELAMAPTBTK
SCHEMBL19258039 0.81 NFKB1 (0.53) NFKB1NFKB2RELABTKCTSK
SCHEMBL18024827 0.78 NFKB1 (0.50) NFKB1NFKB2RELABTKCTSK
SCHEMBL10538036 0.77 MAPT (0.57) NFKB1NFKB2RELAMAPTCXCR2
SCHEMBL1928948 0.72 NFKB1 (0.56) NFKB1NFKB2RELABTKCTSK
SCHEMBL17992573 0.71 MAPT (0.48) NFKB1NFKB2RELAMAPTBTK
SCHEMBL17991584 0.71 NFKB1 (0.44) NFKB1NFKB2RELAMAPTBTK

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799639-B1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS SA (CH) 2013-09-04 EP disclosed
US-7538128-B2 Dipeptidyl peptidase IV inhibitors, process for their preparation and compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2009-05-26 US disclosed
US-7524844-B2 Dipeptidyl peptidase IV inhibitors, process for their preparation and compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2009-04-28 US disclosed
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-11 US disclosed
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-04 US disclosed
US-7205323-B2 Dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2007-04-17 US disclosed
US-20060142585-A1 Novel dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACETUCALS, S.A. 2006-06-29 US 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 (3 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-20060142585-A1 Novel dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation DPP4, DPP3, DPP7 NFKB1 3056/4885NFKB2 3524/4885RELA 4598/4885
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 NFKB1 3086/4885NFKB2 3541/4885RELA 4571/4885
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 NFKB1 3086/4885NFKB2 3541/4885RELA 4571/4885

“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.