Trifluoromethanesulfonic Acid

Trifluoromethanesulfonic Acid

SCHEMBL403207

COc1ccc2nc(NC(=O)c3ccc([S+](c4ccccc4)c4ccccc4)cc3)sc2c1.O=S(=O)([O-])C(F)(F)F

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD O00767 15/20 0.67
KMT2A Q03164 6/20 0.64
MEN1 O00255 5/20 0.64
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
LMNA P02545 2/20 0.57
MAPT P10636 1/20 0.56
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.56

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
Trifluoroacetic Acid SCHEMBL2483587 0.91 SCD (0.70) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL2484653 0.91 SCD (0.81) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL2482852 0.89 SCD (0.66) SCDKMT2AMEN1NPC1RAB9A
Trifluoromethanesulfonic Acid SCHEMBL2485159 0.88 MAP3K5 (0.59) KMT2AMEN1NPC1RAB9AKDM4E
Trifluoromethanesulfonic Acid SCHEMBL2485817 0.88 SMN1; SMN2 (0.60) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL403208 0.83 SCD (0.68) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL4912951 0.82 SCD (1.00) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL16554160 0.80 SCD (1.00) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL4917823 0.80 SCD (0.87) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL31243 0.80 SCD (1.00) SCDKMT2AMEN1NPC1RAB9A

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
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
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

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 SCD 2053/4885KMT2A 2763/4885MEN1 443/4885
US-20120020881-A1 Triaryl-sulphonium compounds, kit and methods for labeling positron emitting isotopes KIT, STS, TST SCD 2140/4885KMT2A 761/4885MEN1 253/4885

“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.