SCHEMBL2348599

SCHEMBL2348599

CCCC[N+]1(C)CCCC1.CCCC[N+]1(C)CCCC1.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
BBOX1 O75936 2/20 0.39
LMNA P02545 3/20 0.36
KMT2A Q03164 1/20 0.36
APOBEC3A P31941 2/20 0.33
APOBEC3G Q9HC16 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL301929 1.00 EPHX1 (0.41) EPHX1BBOX1LMNAKMT2AAPOBEC3A
SCHEMBL302090 0.90 EPHX1 (0.36) EPHX1BBOX1LMNAKMT2AKDM4E
SCHEMBL2354162 0.86 CDC25A (0.40) EPHX1APOBEC3AAPOBEC3G
Trifluoromethanesulfonamide SCHEMBL2119076 0.83 BBOX1 (0.41) EPHX1BBOX1LMNAKMT2AAPOBEC3A
Trifluoromethanesulfonic Acid SCHEMBL246591 0.83 BBOX1 (0.41) EPHX1BBOX1LMNAKMT2AAPOBEC3A
Trifluoromethanesulfonic Acid SCHEMBL25387141 0.83 BBOX1 (0.44) EPHX1BBOX1LMNAKMT2AAPOBEC3A
Trifluoromethanesulfonic Acid SCHEMBL30697434 0.83 BBOX1 (0.41) EPHX1BBOX1LMNAKMT2AAPOBEC3A
Trifluoromethanesulfonamide SCHEMBL3432925 0.83 BBOX1 (0.41) EPHX1BBOX1LMNAKMT2AAPOBEC3A
SCHEMBL2349932 0.83 EPHX1 (0.34) EPHX1
SCHEMBL17435840 0.83 BBOX1 (0.34) EPHX1BBOX1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1932818-B1 Ionic liquid mediated elimination of acetonitrile from the olefin feed used in the production of ethers. IFP Energies Nouvelles (FR) 2014-06-25 EP claimed
EP-2043991-B1 HYDROFORMYLATION PROCESS USING A COBALT-BASED CATALYST IN A NONAQUEOUS IONIC LIQUID IFP Energies Nouvelles (FR) 2011-08-31 EP claimed
US-7781621-B2 Hydroformylation method involving a cobalt-based catalyst in a non-aqueous ionic liquid INSTITUT FRANCAIS DU PETROLE (FR) 2010-08-24 US claimed
US-7759528-B2 Acetonitrile removal from the olefinic feed of ether production processes using ionic liquids INSTITUT FRANCAIS DU PETROLE (FR) 2010-07-20 US claimed
US-20100010270-A1 HYDROFORMYLATION METHOD INVOLVING A COBALT-BASED CATATLYST IN A NON-AQUEOUS IONIC LIQUID IFP (FR) 2010-01-14 US claimed
US-20080154068-A1 ACETONITRILE REMOVAL FROM THE OLEFINIC FEED OF ETHER PRODUCTION PROCESSES USING IONIC LIQUIDS IFP (FR) 2008-06-26 US claimed
US-7781621-B2 Hydroformylation method involving a cobalt-based catalyst in a non-aqueous ionic liquid INSTITUT FRANCAIS DU PETROLE (FR) 2010-08-24 US disclosed
US-7759528-B2 Acetonitrile removal from the olefinic feed of ether production processes using ionic liquids INSTITUT FRANCAIS DU PETROLE (FR) 2010-07-20 US disclosed
US-20100010270-A1 HYDROFORMYLATION METHOD INVOLVING A COBALT-BASED CATATLYST IN A NON-AQUEOUS IONIC LIQUID IFP (FR) 2010-01-14 US disclosed
US-20080154068-A1 ACETONITRILE REMOVAL FROM THE OLEFINIC FEED OF ETHER PRODUCTION PROCESSES USING IONIC LIQUIDS IFP (FR) 2008-06-26 US disclosed
US-20070286783-A1 METHOD OF DEACIDIZING A GASEOUS EFFLUENT WITH EXTRACTION OF THE PRODUCTS TO BE REGENERATED CARRETTE PIERRE-LOUIS 2007-12-13 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-20080154068-A1 ACETONITRILE REMOVAL FROM THE OLEFINIC FEED OF ETHER PRODUCTION PROCESSES USING IONIC LIQUIDS ADH5, CYP4F11, O60361 EPHX1 1572/4885BBOX1 2959/4885LMNA 2627/4885
US-20100010270-A1 HYDROFORMYLATION METHOD INVOLVING A COBALT-BASED CATATLYST IN A NON-AQUEOUS IONIC LIQUID NUDT1, GFPT1, QPCT EPHX1 2858/4885BBOX1 3607/4885LMNA 2589/4885

“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.