SCHEMBL358008

SCHEMBL358008

CCCCCCCCn1cc[n+](C)c1.O=S(=O)([O-])C(F)(F)C(F)F

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
HSP90AA1 P07900 2/20 0.59
KMT2A Q03164 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
APAF1 O14727 1/20 0.59
NPC1 O15118 1/20 0.59
PLA2G1B P04054 1/20 0.59
MAPT P10636 1/20 0.59
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59
RAB9A P51151 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
ATG4B Q9Y4P1 1/20 0.59
FDPS P14324 17/20 0.40

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
SCHEMBL1735067 1.00 MEN1 (0.59) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL1736115 1.00 MEN1 (0.59) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL1736110 1.00 MEN1 (0.59) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL1735957 1.00 MEN1 (0.59) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL1858368 1.00 MEN1 (0.59) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL357140 0.95 MEN1 (0.51) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL16107838 0.90 MEN1 (0.43) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Trifluoromethanesulfonic Acid SCHEMBL318764 0.89 MEN1 (0.68) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Trifluoromethanesulfonic Acid SCHEMBL1331129 0.89 MEN1 (0.68) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Trifluoromethanesulfonic Acid SCHEMBL318767 0.89 MEN1 (0.68) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150082981-A1 CAPTURE OF TRIFLUOROMETHANE USING IONIC LIQUIDS E I DU PONT DE NEMOURS AND COMPANY (US) 2015-03-26 US claimed
US-8779220-B2 Capture of fluorinated vinyl monomers using ionic liquids E I DU PONT DE NEMOURS AND COMPANY (US) 2014-07-15 US claimed
US-20130267668-A1 POLYMERIZATION OF FLUORINATED VINYL MONOMERS IN A BIPHASIC REACTION MEDIUM E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-10 US claimed
US-20130123448-A1 CAPTURE OF FLUORINATED VINYL MONOMERS USING IONIC LIQUIDS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-16 US 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-20150082981-A1 CAPTURE OF TRIFLUOROMETHANE USING IONIC LIQUIDS E I DU PONT DE NEMOURS AND COMPANY (US) 2015-03-26 US disclosed
US-8779220-B2 Capture of fluorinated vinyl monomers using ionic liquids E I DU PONT DE NEMOURS AND COMPANY (US) 2014-07-15 US disclosed
US-20130267668-A1 POLYMERIZATION OF FLUORINATED VINYL MONOMERS IN A BIPHASIC REACTION MEDIUM E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-10 US disclosed
US-20130123448-A1 CAPTURE OF FLUORINATED VINYL MONOMERS USING IONIC LIQUIDS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-16 US disclosed
US-20120011886-A1 IONIC COMPOUNDS IN LITHIUM BROMIDE/WATER ABSORPTION CYCLE SYSTEMS E. I. DU PONT DE NEMOURS AND COMPANY 2012-01-19 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 (1 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-20130123448-A1 CAPTURE OF FLUORINATED VINYL MONOMERS USING IONIC LIQUIDS VCL, MFAP1, VAV1 MEN1 764/4885HSP90AA1 4127/4885KMT2A 2538/4885

“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.