SCHEMBL19462

SCHEMBL19462

CCCCOS(=O)(=O)[O-].CC[n+]1ccn(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
EPHX2 P34913 1/20 0.46
BLM P54132 1/20 0.46
CA1 P00915 10/20 0.35
CA2 P00918 10/20 0.35
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA9 Q16790 8/20 0.31
FDPS P14324 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CA12 O43570 3/20 0.30
CA7 P43166 3/20 0.30
CA14 Q9ULX7 3/20 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
SCHEMBL2859398 0.94 RECQL (0.55) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4407977 0.94 RECQL (0.55) RECQLGLAHPGDTSHRMAPK1
SCHEMBL2351072 0.90 RECQL (0.45) RECQLGLAHPGDTSHRMAPK1
SCHEMBL16968716 0.89 RECQL (0.41) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4407801 0.88 RECQL (0.50) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4411996 0.88 RECQL (0.50) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4410084 0.88 RECQL (0.50) RECQLGLAHPGDTSHRMAPK1
SCHEMBL4419558 0.88 RECQL (0.50) RECQLGLAHPGDTSHRMAPK1
Amylosulfuric Acid SCHEMBL5486548 0.86 RECQL (0.51) RECQLGLAHPGDTSHRMAPK1
SCHEMBL302121 0.85

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
US-7544807-B2 Alkyl sulfates such as 1-ethyl-3-methylimidazolium butyl sulfate, used as solvents or solvent adjuvants in chemical reactions, extraction agents or heat carriers in heat exchangers; low melting MERCK PATENT GMBH (DE) 2009-06-09 US claimed
EP-1425268-B1 ORGANIC SULFATES AS IONIC LIQUIDS SOLVENT INNOVATION GMBH (DE) 2008-02-27 EP claimed
US-20080033178-A1 Alkyl sulfates such as 1-ethyl-3-methylimidazolium butyl sulfate, used as solvents or solvent adjuvants in chemical reactions, extraction agents or heat carriers in heat exchangers; low melting MERCK PATENT GMBH (DE) 2008-02-07 US claimed
US-7252791-B2 sulfonic acids and salts such as 1-ethyl-3-methylimidazolium butyl sulfate, used as solvents or solvent adjuvants in chemical reactions, extraction agents or heat carriers in heat exchangers MERCK PATENT GMBH (DE) 2007-08-07 US claimed
WO-2012025469-A1 IMPROVED PROCESS FOR THE PREPARATION OF ESTERS OF 1-H-PYRAZOLE-4-CARBOXYLIC ACIDS SOLVAY SA (BE) 2012-03-01 WO disclosed
US-7544807-B2 Alkyl sulfates such as 1-ethyl-3-methylimidazolium butyl sulfate, used as solvents or solvent adjuvants in chemical reactions, extraction agents or heat carriers in heat exchangers; low melting MERCK PATENT GMBH (DE) 2009-06-09 US disclosed
US-20080033178-A1 Alkyl sulfates such as 1-ethyl-3-methylimidazolium butyl sulfate, used as solvents or solvent adjuvants in chemical reactions, extraction agents or heat carriers in heat exchangers; low melting MERCK PATENT GMBH (DE) 2008-02-07 US disclosed
US-7252791-B2 sulfonic acids and salts such as 1-ethyl-3-methylimidazolium butyl sulfate, used as solvents or solvent adjuvants in chemical reactions, extraction agents or heat carriers in heat exchangers MERCK PATENT GMBH (DE) 2007-08-07 US disclosed
US-20040262578-A1 sulfonic acids and salts such as 1-ethyl-3-methylimidazolium butyl sulfate, used as solvents or solvent adjuvants in chemical reactions, extraction agents or heat carriers in heat exchangers MERCK PATENT GMBH (DE) 2004-12-30 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 (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-20040262578-A1 sulfonic acids and salts such as 1-ethyl-3-methylimidazolium butyl sulfate, used as solvents or solvent adjuvants in chemical reactions, extraction agents or heat carriers in heat exchangers RPS4Y1, HSPA4, RPS4X RECQL 2836/4885GLA 4606/4885HPGD 3651/4885
US-20080033178-A1 Alkyl sulfates such as 1-ethyl-3-methylimidazolium butyl sulfate, used as solvents or solvent adjuvants in chemical reactions, extraction agents or heat carriers in heat exchangers; low melting MRPS34, HSPA4, SLC43A1 RECQL 2266/4885GLA 4143/4885HPGD 3931/4885

“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.