SCHEMBL1724068

SCHEMBL1724068

CCCCCCCCOS(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.42
EPHX2 P34913 2/20 0.41
CA1 P00915 8/20 0.39
CA2 P00918 8/20 0.39
CA9 Q16790 7/20 0.39
LPAR3 Q9UBY5 3/20 0.39
CA12 O43570 3/20 0.39
CA7 P43166 3/20 0.39
CA14 Q9ULX7 3/20 0.39
LPAR1 Q92633 2/20 0.39
LPAR2 Q9HBW0 2/20 0.39
CA3 P07451 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
NAAA Q02083 1/20 0.39
RECQL P46063 2/20 0.38
TSHR P16473 2/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL1723840 1.00 CES2 (0.42) CES2EPHX2CA1CA2CA9
SCHEMBL1747658 1.00 CES2 (0.42) CES2EPHX2CA1CA2CA9
SCHEMBL1723124 0.98 CES2 (0.39) CES2EPHX2CA1CA2CA9
SCHEMBL1723807 0.91
SCHEMBL4304767 0.88 EPHX2 (0.46) CES2EPHX2CA1CA2CA9
SCHEMBL9129611 0.88 EPHX2 (0.46) CES2EPHX2CA1CA2CA9
SCHEMBL28383874 0.88 EPHX2 (0.46) CES2EPHX2CA1CA2CA9
SCHEMBL4299797 0.88 EPHX2 (0.46) CES2EPHX2CA1CA2CA9
SCHEMBL28888136 0.88 EPHX2 (0.46) CES2EPHX2CA1CA2CA9
SCHEMBL778726 0.88 EPHX2 (0.46) CES2EPHX2CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902004-B1 ONIUM-ALKYLSULFONATE PRODUCTION METHOD MERCK PATENT GMBH (DE) 2012-01-18 EP disclosed
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-20080227987-A1 Process for the Preparation of Onium Alkylsulfites MERCK PATENT GMBH (DE) 2008-09-18 US disclosed
US-20080221334-A1 Process for the Preparation of Onium Alkylsulfonates MERCK PATENT GESELLSCHAFT (DE) 2008-09-11 US disclosed
EP-1902004-A2 ONIUM-ALKYLSULFONATE PRODUCTION METHOD Merck Patent GmbH (DE) 2008-03-26 EP disclosed
EP-1902035-A1 METHOD FOR THE PRODUCTION OF ONIUM ALKYL SULFITES Merck Patent GmbH (DE) 2008-03-26 EP disclosed
WO-2007006389-A1 MIXTURE OF ONIUM ALKYL SULFONATES AND ONIUM ALKYL SULFITES MERCK PATENT GMBH (DE) 2007-01-18 WO disclosed
WO-2007006388-A1 METHOD FOR THE PRODUCTION OF ONIUM ALKYL SULFITES MERCK PATENT GMBH (DE) 2007-01-18 WO disclosed
WO-2007006387-A2 ONIUM-ALKYLSULFONATE PRODUCTION METHOD MERCK PATENT GMBH (DE) 2007-01-18 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-20080221334-A1 Process for the Preparation of Onium Alkylsulfonates STS, ARSA, AGPS CES2 810/4885EPHX2 2248/4885CA1 2392/4885
US-20080227987-A1 Process for the Preparation of Onium Alkylsulfites STS, ARSA, ADSL CES2 766/4885EPHX2 1737/4885CA1 2243/4885

“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.