Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5522157

C[N+]1(Cc2cccc(-c3cccc(CNC(=O)c4ccc5c(c4)OCO5)c3)c2)CCCCC1.O=C([O-])C(F)(F)F

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 15/20 0.59
CHRM1 P11229 1/20 0.53
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
MMP13 P45452 1/20 0.49
KMT2A Q03164 1/20 0.49
AURKA O14965 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48

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 SCHEMBL5524815 0.92 CHRM3 (0.60) CHRM3CHRM1
Trifluoroacetic Acid SCHEMBL5575975 0.92 CHRM3 (0.60) CHRM3CHRM1
Trifluoroacetic Acid SCHEMBL5524818 0.90 CHRM3 (0.57) CHRM3CHRM1
Trifluoroacetic Acid SCHEMBL5520338 0.86 CHRM3 (0.54) CHRM3CHRM1AURKA
SCHEMBL14435012 0.84 CHRM3 (0.68) CHRM3CHRM1
Trifluoroacetic Acid SCHEMBL5575936 0.83 CHRM3 (0.85) CHRM3CHRM1
Trifluoroacetic Acid SCHEMBL5525860 0.83 CHRM3 (0.85) CHRM3CHRM1
Trifluoroacetic Acid SCHEMBL5525864 0.81 CHRM3 (0.81) CHRM3CHRM1
Trifluoroacetic Acid SCHEMBL5525503 0.81 CHRM3 (0.64) CHRM3CHRM1MEN1LMNAMAPK1
Trifluoroacetic Acid SCHEMBL5525505 0.79 CHRM3 (0.62) CHRM3CHRM1AURKA

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-20070179131-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2007-08-02 US claimed
EP-1751089-A2 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-02-14 EP claimed
WO-2005086873-A2 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (US) 2005-09-22 WO claimed
US-20070179131-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2007-08-02 US disclosed
EP-1751089-A2 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-02-14 EP disclosed
WO-2005086873-A2 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (US) 2005-09-22 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 (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-20070179131-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRM2, CHRNA3 CHRM3 1/4885CHRM1 8/4885MEN1 3696/4885

“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.