SCHEMBL358139

SCHEMBL358139

CCCCn1cc[n+](C)c1C.O=S(=O)([O-])C(F)(F)C(F)F

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.35
KCNH2 Q12809 7/20 0.34
EEF2K O00418 2/20 0.33
EEF2 P13639 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
PLK4 O00444 1/20 0.33
JAK2 O60674 1/20 0.33
EGFR P00533 1/20 0.33
TYK2 P29597 1/20 0.33
FLT3 P36888 1/20 0.33
BLM P54132 1/20 0.33
ITK Q08881 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
ALDH1A1 P00352 1/20 0.30
POLB P06746 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
Trifluoromethanesulfonic Acid SCHEMBL707414 0.89 KCNH2 (0.43) ACHEKCNH2EEF2KEEF2KMT2A
Sulfuric Acid SCHEMBL3006216 0.84 KMT2A (0.40) ACHEKCNH2EEF2KEEF2KMT2A
Trifluoromethanesulfonic Acid SCHEMBL1329123 0.84 KCNH2 (0.47) ACHEKCNH2EEF2KEEF2KMT2A
Trifluoromethanesulfonic Acid SCHEMBL1330199 0.84 KCNH2 (0.47) ACHEKCNH2EEF2KEEF2KMT2A
Trifluoromethanesulfonic Acid SCHEMBL1329988 0.84 KCNH2 (0.47) ACHEKCNH2EEF2KEEF2KMT2A
Trifluoromethanesulfonic Acid SCHEMBL711976 0.84 KCNH2 (0.47) ACHEKCNH2EEF2KEEF2KMT2A
SCHEMBL3000997 0.83 KMT2A (0.40) ACHEEEF2KEEF2KMT2AMEN1
SCHEMBL15670994 0.82 KCNH2 (0.33) ACHEKCNH2EEF2KEEF2KMT2A
Sulfuric Acid SCHEMBL4247480 0.82 CA1 (0.41) ACHEEEF2KEEF2KMT2AMEN1
Trifluoromethanesulfonic Acid SCHEMBL1681503 0.80 KCNH2 (0.39) ACHEKCNH2CA1CA2

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 79 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954680-B1 IONIC LIQUIDS DU PONT (US) 2012-05-23 EP claimed
US-20120011886-A1 IONIC COMPOUNDS IN LITHIUM BROMIDE/WATER ABSORPTION CYCLE SYSTEMS E. I. DU PONT DE NEMOURS AND COMPANY 2012-01-19 US claimed
US-20110195212-A1 Flame Retardant Polycarbonate Compositions E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-08-11 US claimed
US-20100204521-A1 PROCESSES FOR MAKING DIBUTYL ETHERS FROM 2-BUTANOL E. I. DU PONT DE NEMOURS AND COMPANY 2010-08-12 US claimed
US-20100197974-A1 PROCESSES FOR MAKING DIALKYL ETHERS FROM ALCOHOLS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-08-05 US claimed
US-20100174120-A1 PROCESSES FOR MAKING DIBUTYL ETHERS FROM ISOBUTANOL E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-08 US claimed
US-7544813-B2 Ionic liquids E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-06-09 US claimed
EP-1940914-B1 PREPARATION OF POLYTRIMETHYLENE ETHER GLYCOL AND COPOLYMERS THEREOF DU PONT (US) 2009-05-13 EP claimed
US-7528287-B2 Preparation of poly(tetramethylene) glycol E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-05-05 US claimed
US-20080221241-A1 Flame Retardant Polycarbonate Compositions E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-09-11 US claimed
US-7238772-B2 Preparation of polytrimethylene ether glycol and copolymers thereof E. I. DU PONT DE NEMOURS AND COMPANY (DE) 2007-07-03 US claimed
US-20070100184-A1 Alkylation of aromatic compounds E. I. DU PONT DE NEMOURS AND COMPANY 2007-05-03 US claimed
US-20070100181-A1 Olefin isomerization E. I. DU PONT DE NEMOURS AND COMPANY 2007-05-03 US claimed
US-20070066854-A1 Preparation of polytrimethylene ether glycol and copolymers thereof THE CHEMOURS COMPANY FC, LLC 2007-03-22 US claimed
US-20070066852-A1 Preparation of poly(tetramethylene) glycol THE CHEMOURS COMPANY FC, LLC 2007-03-22 US claimed
US-20070066822-A1 Ionic liquids THE CHEMOURS COMPANY FC, LLC 2007-03-22 US claimed
EP-2118194-B1 FLAME RETARDANT POLYCARBONATE COMPOSITIONS DU PONT (US) 2014-12-03 EP disclosed
US-20140286849-A1 Mixtures of Ammonia and Ionic Liquids E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-09-25 US disclosed
US-20070019708-A1 Hybrid vapor compression-absorption cycle E. I. DU PONT DE NEMOURS AND COMPANY 2007-01-25 US disclosed
US-20060197053-A1 Absorption cycle utilizing ionic liquid as working fluid E. I. DU PONT DE NEMOURS AND COMPANY 2006-09-07 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 (8 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-20100174120-A1 PROCESSES FOR MAKING DIBUTYL ETHERS FROM ISOBUTANOL EBP, PPIP5K2, PCBP1 ACHE 3652/4885KCNH2 1554/4885EEF2K 1535/4885
US-20100197974-A1 PROCESSES FOR MAKING DIALKYL ETHERS FROM ALCOHOLS ADH1C, DCLK1, GK ACHE 4155/4885KCNH2 325/4885EEF2K 559/4885
US-20070100184-A1 Alkylation of aromatic compounds TYR, ALK, AHR ACHE 2680/4885KCNH2 1186/4885EEF2K 1356/4885
US-20070066854-A1 Preparation of polytrimethylene ether glycol and copolymers thereof PARG, PTGES3, PGD ACHE 4693/4885KCNH2 2378/4885EEF2K 3509/4885
US-20100204521-A1 PROCESSES FOR MAKING DIBUTYL ETHERS FROM 2-BUTANOL TRIB2, EBP, DAB2IP ACHE 3672/4885KCNH2 1685/4885EEF2K 864/4885
US-20070100181-A1 Olefin isomerization OSBP, OXER1, ALOX12 ACHE 2482/4885KCNH2 2857/4885EEF2K 1348/4885
US-20070066822-A1 Ionic liquids AFF2, AFF1, ZYX ACHE 4344/4885KCNH2 273/4885EEF2K 2189/4885
US-20070066852-A1 Preparation of poly(tetramethylene) glycol PARG, PUF60, TPR ACHE 4838/4885KCNH2 860/4885EEF2K 2360/4885

“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.