SCHEMBL6116240

SCHEMBL6116240

CCCC#Cc1ccc(Cl)cc1SC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 1/20 0.36
TLR8 Q9NR97 1/20 0.33
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL6117121 0.92 PGK1 (0.37) CYP46A1CYP2D6
SCHEMBL6116770 0.88 PGK1 (0.32) CYP2D6SLC6A2SLC6A4NOS2
SCHEMBL6116682 0.84 TLR8 (0.34) TLR8
SCHEMBL6116221 0.84 TLR8 (0.34) TLR8
SCHEMBL6117194 0.83 TLR8 (0.33) TLR8
SCHEMBL6116689 0.82 TLR8 (0.33) TLR8
SCHEMBL6116642 0.82 TLR8 (0.33) TLR8
SCHEMBL6116418 0.81 TLR8 (0.32) TLR8
SCHEMBL6117016 0.80 AR (0.32) CYP2D6SLC6A2SLC6A4NOS2
SCHEMBL6116651 0.79 TLR8 (0.39) TLR8CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2460802-B1 TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALTS, PROCESS FOR PRODUCTION THEREOF, AND PROCESS FOR PRODUCTION OF TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING SAME NAGOYA INST TECHNOLOGY (JP) 2014-09-03 EP disclosed
US-8703969-B2 Trifluoromethylthiophenium derivative salt, method for producing the same, and method for producing trifluoromethyl-containing compounds using the same NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2014-04-22 US disclosed
EP-2460802-A1 TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALTS, PROCESS FOR PRODUCITON THEREOF, AND PROCESS FOR PRODUCTION OF TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING SAME Nagoya Institute of Technology (JP) 2012-06-06 EP disclosed
US-20120130090-A1 TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALT, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING THE SAME TOSOH F-TECH, INC. (JP) 2012-05-24 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-20120130090-A1 TRIFLUOROMETHYLTHIOPHENIUM DERIVATIVE SALT, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING TRIFLUOROMETHYL-CONTAINING COMPOUNDS USING THE SAME TST, CBR3, CYP4B1 CYP46A1 1357/4885TLR8 4072/4885CYP2D6 373/4885

“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.