Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5560100

COCC1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
CHRNB3 Q05901 1/20 0.42
CHRNA6 Q15825 1/20 0.42
TDP1 Q9NUW8 1/20 0.38
GABRA5 P31644 3/20 0.38
GABRB2 P47870 3/20 0.38
SLC6A1 P30531 2/20 0.38
SLC6A12 P48065 2/20 0.38
SLC6A11 P48066 2/20 0.38
SLC6A13 Q9NSD5 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRR1 P24046 1/20 0.38
CPN1 P15169 1/20 0.37
CPB2 Q96IY4 1/20 0.37
PKM P14618 1/20 0.36
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 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 SCHEMBL6135433 0.84 CHRNB2 (0.41) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Trifluoroacetic Acid SCHEMBL2573227 0.82 CHRNB2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL82090 0.81
Trifluoroacetic Acid SCHEMBL2224678 0.79 DPP8 (0.34) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL796439 0.79 TDP1 (0.53) TDP1
Trifluoroacetic Acid SCHEMBL16399051 0.77 CHRNB2 (0.45) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Trifluoroacetic Acid SCHEMBL4192019 0.77 CHRNB2 (0.45) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Trifluoroacetic Acid SCHEMBL4189541 0.77 CHRNB2 (0.45) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Trifluoroacetic Acid SCHEMBL28044634 0.77 GABRA5 (0.43) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
Trifluoroacetic Acid SCHEMBL3377548 0.77 PLG (0.44) GABRA5GABRB2SLC6A1SLC6A12SLC6A11

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 12 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
CN-1774437-A 7-([1,4]dioxan-2-yl)-benzothiazole derivatives as adenosine receptor ligands HOFFMANN LA ROCHE (CH) 2006-05-17 CN 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 CHRNB2 381/4885CHRNA3 305/4885CHRNA4 384/4885
US-20050065151-A1 Thiazolopyridine ADORA2A, ADORA3, ADORA1 CHRNB2 59/4885CHRNA3 63/4885CHRNA4 58/4885

“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.