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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8512869

O=C(C[N+]12CCC(CC1)[C@@H](OC(=O)C(NS(=O)(=O)c1ccccc1)c1ccccc1)C2)c1nccs1.O=C([O-])C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 19/20 0.38
▸ CHRM2 P08172 13/20 0.38
▸ CHRM1 P11229 13/20 0.38
▸ PDE2A O00408 2/20 0.35
▸ PDE6D O43924 2/20 0.35
▸ PDE8A O60658 2/20 0.35
▸ PDE5A O76074 2/20 0.35
▸ PDE9A O76083 2/20 0.35
▸ PDE8B O95263 2/20 0.35
▸ PDE6A P16499 2/20 0.35
▸ PDE6G P18545 2/20 0.35
▸ PDE4A P27815 2/20 0.35
▸ PDE6B P35913 2/20 0.35
▸ PDE6C P51160 2/20 0.35
▸ PDE1A P54750 2/20 0.35
▸ PDE1B Q01064 2/20 0.35
▸ PDE4B Q07343 2/20 0.35
▸ PDE4C Q08493 2/20 0.35
▸ PDE4D Q08499 2/20 0.35
▸ PDE3B Q13370 2/20 0.35

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 SCHEMBL8512704 1.00 CHRM3 (0.38) CHRM3CHRM2CHRM1PDE2APDE6D
SCHEMBL9287549 0.94 CHRM3 (0.41) CHRM3CHRM2CHRM1PDE2APDE6D
Trifluoroacetic Acid SCHEMBL8511342 0.88 CHRM3 (0.41) CHRM3CHRM2CHRM1PDE2APDE6D
Trifluoroacetic Acid SCHEMBL8512097 0.88 CHRM3 (0.39) CHRM3CHRM2CHRM1CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL2994966 0.87 CHRM3 (0.38) CHRM3CHRM2CHRM1CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL2485618 0.87 CHRM3 (0.38) CHRM3CHRM2CHRM1CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL2488692 0.87 CHRM3 (0.38) CHRM3CHRM2CHRM1CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL17667714 0.85 CHRM3 (0.39) CHRM3CHRM2CHRM1CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL1696163 0.83 CHRM3 (0.37) CHRM3CHRM2CHRM1CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL8509357 0.83 CHRM3 (0.40) CHRM3CHRM2CHRM1PDE2APDE6D

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643295-B1 GLYCINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS CHIESI FARMA SPA (IT) 2016-04-13 — — EP disclosed
US-8772314-B2 Glycine derivatives and medicinal compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2014-07-08 — — US disclosed
EP-2643295-A1 GLYCINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS Chiesi Farmaceutici S.p.A. (IT) 2013-10-02 — — EP disclosed
US-20120134934-A1 GLYCINE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2012-05-31 — — US disclosed
WO-2012069275-A1 GLYCINE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS CHIESI FARMACEUTICI S.P.A. (IT) 2012-05-31 — — 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-20120134934-A1 GLYCINE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHRM3, GLRB, CHRNG CHRM3 1/4885CHRM2 4/4885CHRM1 10/4885

“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.