SCHEMBL2293459

SCHEMBL2293459

CCCCCCN1C=CN(C)C1OS(=O)(=O)CC

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
MGLL Q99685 2/20 0.32
RECQL P46063 2/20 0.32
GLA P06280 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
EPHX2 P34913 1/20 0.32
BLM P54132 1/20 0.32
FAAH O00519 1/20 0.32
GUSB P08236 2/20 0.30
EBP Q15125 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL4266267 0.91 SMPD1 (0.34) PTGS1PTGS2MGLLRECQLGLA
SCHEMBL4023091 0.88 SMPD1 (0.34) RECQLGLAHPGDTSHRMAPK1
SCHEMBL15170123 0.88 CA1 (0.33) PTGS1PTGS2MGLLRECQLGLA
SCHEMBL2295226 0.88 CA1 (0.33) PTGS1PTGS2MGLLRECQLGLA
SCHEMBL13517070 0.88 CA1 (0.33) PTGS1PTGS2MGLLRECQLGLA
SCHEMBL15170315 0.86 CA1 (0.31)
SCHEMBL514446 0.82 EPHX1 (0.33)
SCHEMBL1331130 0.82 EPHX1 (0.33)
SCHEMBL318567 0.82 EPHX1 (0.33)
SCHEMBL318176 0.82 EPHX1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7999111-B2 Reacting an onium halide or carboxylate with a symmetrically substituted dialkyl sulfite or with an asymmetrically substituted dialkyl sulfite; 1-hexyl-3-methylimidazolium chloride and dimethyl sulfite; 1-Hexyl-3-methylimidazolium methanesulfonate MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-16 US disclosed
US-20080221334-A1 Process for the Preparation of Onium Alkylsulfonates MERCK PATENT GESELLSCHAFT (DE) 2008-09-11 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 (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-20080221334-A1 Process for the Preparation of Onium Alkylsulfonates STS, ARSA, AGPS PTGS1 4282/4885PTGS2 3700/4885MGLL 276/4885

“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.