Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3144586

NC(=O)CNC(=O)N[C@H]1CCN(c2ccccn2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 13/20 0.54
CA1 P00915 13/20 0.54
CA2 P00918 13/20 0.54
CA4 P22748 13/20 0.54
CA7 P43166 13/20 0.54
CA9 Q16790 13/20 0.54
DPP4 P27487 1/20 0.51
DPP8 Q6V1X1 1/20 0.51
DPP9 Q86TI2 1/20 0.51
DPP7 Q9UHL4 1/20 0.51
HRH4 Q9H3N8 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
TRPV1 Q8NER1 5/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
HMOX1 P09601 1/20 0.43

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 SCHEMBL589488 1.00 CA12 (0.54) CA12CA1CA2CA4CA7
Trifluoroacetic Acid SCHEMBL2889124 0.94 DPP4 (0.48) CA12CA1CA2CA4CA7
Trifluoroacetic Acid SCHEMBL2887068 0.89 LMNA (0.45) CA12CA1CA2CA4CA7
Trifluoroacetic Acid SCHEMBL2891601 0.89 LMNA (0.45) CA12CA1CA2CA4CA7
Trifluoroacetic Acid SCHEMBL3144597 0.88 CA12 (0.54) CA12CA1CA2CA4CA7
Trifluoroacetic Acid SCHEMBL589490 0.88 CA12 (0.54) CA12CA1CA2CA4CA7
SCHEMBL3156627 0.86 ALDH1A1 (0.54) CA12CA1CA2CA4CA7
Hydrochloric Acid SCHEMBL2891558 0.85 ALDH1A1 (0.53) CA12CA1CA2CA4CA7
Trifluoroacetic Acid SCHEMBL3149597 0.84 DRD2 (0.48) CA12CA1CA2CA4CA7
SCHEMBL3144590 0.83 CA12 (0.54) CA12CA1CA2CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805181-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-08-29 EP disclosed
EP-2012759-B1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-03-10 EP disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
EP-1841768-B1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2008-11-12 EP disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US disclosed
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists NOVARTIS AG (CH) 2008-08-21 US disclosed
EP-1841768-A1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS Novartis AG (CH) 2007-10-10 EP disclosed
WO-2006074925-A1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2006-07-20 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 (3 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-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 CA12 2195/4885CA1 1723/4885CA2 1325/4885
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists ADORA2A, ADORA1, ADORA3 CA12 4138/4885CA1 4030/4885CA2 1804/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 CA12 1617/4885CA1 1669/4885CA2 593/4885

“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.