Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5559583

COCC1(C)CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
OPRM1 P35372 2/20 0.31
HRH4 Q9H3N8 2/20 0.31
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL9928311 0.82 SLC6A2 (0.33) IRAK4SLC6A2SLC6A4SLC6A3
Trifluoroacetic Acid SCHEMBL20300227 0.81 PKM (0.30) PKM
Trifluoroacetic Acid SCHEMBL2904301 0.81 HRH4 (0.35) PKMOPRM1HRH4HRH3
Hydrochloric Acid SCHEMBL2903694 0.80 SLC6A2 (0.33) IRAK4SLC6A2SLC6A4SLC6A3
SCHEMBL2904303 0.78 OPRM1 (0.32) IRAK4OPRM1
Trifluoroacetic Acid SCHEMBL4435632 0.77 PKM (0.38) PKMOPRM1HRH4HRH3
Trifluoroacetic Acid SCHEMBL21840084 0.74 KDM4E (0.34) PKMHRH4HRH3
Trifluoroacetic Acid SCHEMBL28570200 0.74 PKM (0.32) PKM
Trifluoroacetic Acid SCHEMBL21570185 0.72 PKM (0.31) PKM
Trifluoroacetic Acid SCHEMBL5035153 0.72 CYP1A2 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100447140-C 7- ([1,4] di * alk-2-yl) -benzothiazole derivatives as adenosine receptor ligands HOFFMANN LA ROCHE (CH) 2008-12-31 CN disclosed
US-7273865-B2 Thiazolopyridine HOFFMANN-LA ROCHE INC. (US) 2007-09-25 US disclosed
EP-1615919-B1 7-([1,4]DIOXAN-2-YL)-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2007-08-22 EP disclosed
CN-1871244-A Thiazolopyridine derivatives as adenosine receptor ligands HOFFMANN LA ROCHE (CH) 2006-11-29 CN disclosed
EP-1670805-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-21 EP disclosed
EP-1615919-A1 7-([1,4]DIOXAN-2-YL)-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2006-01-18 EP disclosed
WO-2005028484-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2005-03-31 WO disclosed
US-6872833-B2 Adenosine receptor ligands HOFFMANN-LA ROCHE INC. (US) 2005-03-29 US disclosed
US-20050065151-A1 Thiazolopyridine HOFFMANN-LA ROCHE INC. 2005-03-24 US disclosed
WO-2004089949-A1 7-([1,4]DIOXAN-2-YL)-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-21 WO disclosed
US-20040204584-A1 ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-14 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 (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-20040204584-A1 ADENOSINE RECEPTOR LIGANDS ADORA1, ADORA2A, ADORA3 PKM 3530/4885IRAK4 1780/4885SLC6A2 492/4885
US-20050065151-A1 Thiazolopyridine ADORA2A, ADORA3, ADORA1 PKM 1839/4885IRAK4 641/4885SLC6A2 57/4885

“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.