Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL404697

O=C(O)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)([O-])C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
HSD17B10 Q99714 1/20 0.41
DAO P14920 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
SRD5A2 P31213 3/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
GPR3 P46089 1/20 0.40
TP53 P04637 1/20 0.39

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 SCHEMBL6118365 0.88 GPR3 (0.48) CA1CA2CA9CA5AGPR3
Trifluoromethanesulfonic Acid SCHEMBL31155703 0.86 GPR3 (0.50) TSHRCA1CA2CA9CA5A
Trifluoromethanesulfonic Acid SCHEMBL37032 0.86 GPR3 (0.50) TSHRCA1CA2CA9CA5A
Trifluoromethanesulfonic Acid SCHEMBL10008137 0.84 GPR3 (0.48) CA1CA2CA9CA5AGPR3
Trifluoromethanesulfonic Acid SCHEMBL406729 0.84 TSHR (0.49) TSHRCA1CA2CA12CA9
Trifluoromethanesulfonic Acid SCHEMBL548279 0.83 GPR3 (0.42) CA1CA2CA12CA9CES2
Trifluoromethanesulfonic Acid SCHEMBL503657 0.83 GPR3 (0.42) CA1CA2CA12CA9CES2
Trifluoromethanesulfonic Acid SCHEMBL9680578 0.83 GPR3 (0.42) CA1CA2CA12CA9CES2
Trifluoromethanesulfonic Acid SCHEMBL3249775 0.83 GPR3 (0.44) TSHRCA1CA2CA9CA5A
Trifluoromethanesulfonic Acid SCHEMBL407287 0.83 LDHA (0.41) HSD17B10NAPRTCYP2C19GPR3HPGD

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 6 patents. 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
EP-2376463-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA Bayer Pharma Aktiengesellschaft (DE) 2011-10-19 EP disclosed
EP-2376449-A1 TRIARYL-SULPHONIUM COMPOUNDS, KIT AND METHODS FOR LABELING POSITRON EMITTING ISOTOPES Bayer Pharma Aktiengesellschaft (DE) 2011-10-19 EP disclosed
US-20110243846-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-06 US disclosed
WO-2010066357-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 WO disclosed
WO-2010066380-A1 TRIARYL-SULPHONIUM COMPOUNDS, KIT AND METHODS FOR LABELING POSITRON EMITTING ISOTOPES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 WO 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-20110243846-A1 BENZOTHIAZOLE AMIDES FOR DETECTION OF AMYLOID BETA APP, APBA1, BACE1 TSHR 3897/4885HSD17B10 1864/4885DAO 1253/4885
US-20120020881-A1 Triaryl-sulphonium compounds, kit and methods for labeling positron emitting isotopes KIT, STS, TST TSHR 1288/4885HSD17B10 2840/4885DAO 1509/4885

“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.