SCHEMBL1416670

SCHEMBL1416670

CCCCCCCCCCCCOS(=O)(=O)[O-].CCCCCCCCCCCCn1cc[n+](C)c1

nearest known ligand 0.64

Known targets — ChEMBL curated mechanism

S1PR1S1PR2S1PR3S1PR4S1PR5rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.64
MEN1 O00255 2/20 0.64
HSP90AA1 P07900 2/20 0.64
KMT2A Q03164 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
APAF1 O14727 1/20 0.64
NPC1 O15118 1/20 0.64
PLA2G1B P04054 1/20 0.64
MAPT P10636 1/20 0.64
HTT P42858 1/20 0.64
RAB9A P51151 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
ATG4B Q9Y4P1 1/20 0.64
RECQL P46063 2/20 0.54
GLA P06280 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
EPHX2 P34913 1/20 0.54
BLM P54132 1/20 0.54
FDPS P14324 15/20 0.39

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
SCHEMBL1416679 1.00 MAPK1 (0.64) MAPK1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL1416588 1.00 MAPK1 (0.64) MAPK1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL1416565 1.00 MAPK1 (0.64) MAPK1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL1416692 1.00 MAPK1 (0.64) MAPK1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL28567948 1.00 MAPK1 (0.64) MAPK1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL1416563 1.00 MAPK1 (0.64) MAPK1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL5961696 1.00 MAPK1 (0.64) MAPK1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL1416736 1.00 MAPK1 (0.64) MAPK1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL1416690 1.00 MAPK1 (0.64) MAPK1MEN1HSP90AA1KMT2ASMN1; SMN2
SCHEMBL1416512 0.97 MAPK1 (0.64) MAPK1MEN1HSP90AA1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425268-B2 ORGANIC SULFATES AS IONIC LIQUIDS MERCK PATENT GMBH (DE) 2011-03-16 EP claimed
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-2006111712-A2 IONIC LIQUIDS AND USES THEREOF THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2006-10-26 WO claimed
EP-1425268-B2 ORGANIC SULFATES AS IONIC LIQUIDS MERCK PATENT GMBH (DE) 2011-03-16 EP 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
EP-1425268-B1 ORGANIC SULFATES AS IONIC LIQUIDS SOLVENT INNOVATION GMBH (DE) 2008-02-27 EP 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 MAPK1 303/4885MEN1 4370/4885HSP90AA1 81/4885
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 MAPK1 423/4885MEN1 4582/4885HSP90AA1 82/4885

“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.