SCHEMBL406608

SCHEMBL406608

CC(C)(C)OC(=O)N1CC[C@H]1COc1ccc(S(OS(=O)(=O)C(F)(F)F)(c2ccccc2)c2ccccc2)nc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.40
NR1H3 Q13133 4/20 0.40
GPR119 Q8TDV5 5/20 0.38
ABHD6 Q9BV23 3/20 0.37
DAGLA Q9Y4D2 3/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
WNT3 P56703 1/20 0.36
SFRP1 Q8N474 1/20 0.36

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 SCHEMBL406607 0.79 GPR119 (0.38) NR1H2NR1H3GPR119ALOX5APFEN1
SCHEMBL7479360 0.77 CHRNB2 (0.46) GPR119ALOX5APFEN1
SCHEMBL7407720 0.75 CHRNB2 (0.53) GPR119ALOX5APFEN1
SCHEMBL7472876 0.75 CHRNA3 (0.59) GPR119ALOX5APFEN1
SCHEMBL18291358 0.75 ALOX5AP (0.50) GPR119ALOX5APFEN1
SCHEMBL7472930 0.75 CHRNB2 (0.54) GPR119ALOX5APFEN1
SCHEMBL6588716 0.75 CHRNA3 (0.59) GPR119ALOX5APFEN1
SCHEMBL7481577 0.74 ALOX5AP (0.44) GPR119ALOX5APFEN1
SCHEMBL7408557 0.74 GPR119 (0.48) GPR119ALOX5APFEN1
SCHEMBL7455050 0.74 GPR119 (0.42) GPR119ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120020881-A1 Triaryl-sulphonium compounds, kit and methods for labeling positron emitting isotopes BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-26 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-20120020881-A1 Triaryl-sulphonium compounds, kit and methods for labeling positron emitting isotopes KIT, STS, TST NR1H2 3745/4885NR1H3 3597/4885GPR119 1201/4885

“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.