SCHEMBL408852

SCHEMBL408852

CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@@H](c1ccc(S(OS(=O)(=O)C(F)(F)F)(c3ccccc3)c3ccccc3)nc1)C2

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.36
RORC P51449 1/20 0.36
HSD11B1 P28845 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
SFRP1 Q8N474 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
ELOVL6 Q9H5J4 1/20 0.33

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 SCHEMBL408851 0.78 GPR119 (0.36) GPR119RORCHSD11B1CHRM2CHRM1
SCHEMBL10064461 0.76 CHRM2 (0.39) GPR119CHRM2CHRM1CHRM3CHRNB2
SCHEMBL669989 0.75 CHRM2 (0.44) GPR119CHRM2CHRM1CHRM3CHRNB2
SCHEMBL8299717 0.75 CHRM2 (0.44) GPR119CHRM2CHRM1CHRM3CHRNB2
SCHEMBL406608 0.72 NR1H2 (0.40) GPR119SFRP1
SCHEMBL1721264 0.72 GPR119 (0.48) GPR119CHRM2CHRM1CHRM3CHRNB2
SCHEMBL15085024 0.72 CHRNB2 (0.54) GPR119HSD11B1CHRNB2CHRNA4
SCHEMBL16267979 0.72 CHRNB2 (0.54) GPR119HSD11B1CHRNB2CHRNA4
SCHEMBL15085021 0.71 CHRM2 (0.41) GPR119CHRM2CHRM1CHRM3
SCHEMBL15085020 0.69 CHRNB2 (0.52) GPR119CHRNB2CHRNA4

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 GPR119 1201/4885RORC 1802/4885HSD11B1 842/4885

“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.