Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4325959

O=C(NC1CCC(F)(F)CC1)c1nc(Cl)c2ccccn12.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 10/20 0.43
CNR1 P21554 4/20 0.42
CNR2 P34972 2/20 0.42
NR1H4 Q96RI1 1/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 2/20 0.41
CD38 P28907 1/20 0.39
MAPK8 P45983 1/20 0.39
NAMPT P43490 1/20 0.38
WHR1 P49842 1/20 0.38

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
SCHEMBL13578216 0.94 CNR1 (0.44) HTR4CNR1CNR2NR1H4CYP3A4
Trifluoroacetic Acid SCHEMBL4329769 0.85 ATM (0.44) HTR4CNR1CNR2NR1H4CYP3A4
Trifluoroacetic Acid SCHEMBL4339706 0.84 RORC (0.42) HTR4CNR1CNR2NR1H4CYP3A4
Trifluoroacetic Acid SCHEMBL4325507 0.84 MAP2K3 (0.50) HTR4CNR1CNR2CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4321784 0.81 KMT2A (0.42) HTR4CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4341766 0.79 CNR2 (0.55) HTR4CNR1CNR2CYP3A4CYP2D6
SCHEMBL13578175 0.78 CNR1 (0.45) HTR4CNR1CNR2NR1H4CYP3A4
Trifluoroacetic Acid SCHEMBL4327655 0.77 KDM4E (0.53) CNR1CNR2
Trifluoroacetic Acid SCHEMBL4324639 0.77 CNR2 (0.54) CNR1CNR2
SCHEMBL13578195 0.77 CNR1 (0.45) HTR4CNR1NR1H4CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. 2009-12-31 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 (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-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES CNR2, CNR1, TRPV1 HTR4 254/4885CNR1 2/4885CNR2 1/4885

“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.