Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3154245

CN(C)CC(=O)NC1CCC(N)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 9/20 0.42
CCR2 P41597 1/20 0.39
MAOA P21397 1/20 0.39
BTK Q06187 2/20 0.35
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
GAA P10253 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL16374937 0.89 SMYD3 (0.49) SMYD3MAOAGAA
SCHEMBL21198215 0.89 SMYD3 (0.49) SMYD3MAOAGAA
SCHEMBL21213732 0.89 SMYD3 (0.49) SMYD3MAOAGAA
Trifluoroacetic Acid SCHEMBL3154236 0.86 MME (0.39) CCR2MAOABTKDPP4DPP8
SCHEMBL3154242 0.81 PKM (0.43) MAOAGAAEPHX1
SCHEMBL4191188 0.80 MAOA (0.47) MAOAGAAEPHX1
Trifluoroacetic Acid SCHEMBL3150147 0.80 SMYD3 (0.38) SMYD3
Trifluoroacetic Acid SCHEMBL852782 0.78 SMYD3 (0.41) SMYD3CCR2DPP4DPP8
Trifluoroacetic Acid SCHEMBL14657132 0.78 SMYD3 (0.41) SMYD3CCR2DPP4DPP8
SCHEMBL12819982 0.76 MAOA (0.42) MAOAGAAEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 SMYD3 4852/4885CCR2 586/4885MAOA 128/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 SMYD3 4067/4885CCR2 410/4885MAOA 369/4885

“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.