Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL404848

NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
OPRK1 P41145 5/20 0.49
CTSC P53634 1/20 0.48
MMP2 P08253 1/20 0.48
SLC15A1 P46059 1/20 0.48
LTA4H P09960 1/20 0.46
PTPN1 P18031 1/20 0.45

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
SCHEMBL14963151 0.93 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8789703 0.93 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8788898 0.93 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL26605063 0.87 ALPI (0.51) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL26605058 0.87 ALPI (0.51) ALPIPKMPTGS1XIAPSLC7A5
Trifluoroacetic Acid SCHEMBL3584694 0.84 F2 (0.47) OPRK1
Trifluoroacetic Acid SCHEMBL13519232 0.84 OPRK1 (0.53) ALPIPKMPTGS1XIAPSLC7A5
Trifluoroacetic Acid SCHEMBL13519233 0.84 OPRK1 (0.53) ALPIPKMPTGS1XIAPSLC7A5
Benzene SCHEMBL11575906 0.82 SLC7A5 (0.58) SLC7A5OPRK1MMP2
Benzene SCHEMBL11575909 0.82 SLC7A5 (0.58) SLC7A5OPRK1MMP2

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 ALPI 1960/4885PKM 170/4885PTGS1 4609/4885

“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.