Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4328508

CC(NC(=O)c1nc(Cl)c2ccccn12)c1ccccc1Cl.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.38
RORC P51449 7/20 0.37
PPARG P37231 2/20 0.37
MAPK3 P27361 1/20 0.36
MAPK1 P28482 1/20 0.36
HDAC3 O15379 1/20 0.36
CYP2C9 P11712 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
THRB P10828 1/20 0.36
ROCK2 O75116 3/20 0.35
ROCK1 Q13464 3/20 0.35
CYP3A4 P08684 1/20 0.35
HTR4 Q13639 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CG P48736 1/20 0.35
CNR2 P34972 1/20 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
SCHEMBL13578000 0.93 MAPK1 (0.40) RORCMAPK3MAPK1THRBROCK2
Trifluoroacetic Acid SCHEMBL4329929 0.86 RORC (0.47) RORCPPARGMAPK3MAPK1
Trifluoroacetic Acid SCHEMBL4326992 0.84 RORC (0.44) PDE2ARORCPPARG
Trifluoroacetic Acid SCHEMBL4329955 0.84 CNR2 (0.49) RORCPPARGCYP3A4HTR4CNR2
Trifluoroacetic Acid SCHEMBL4333546 0.84 CNR2 (0.49) RORCPPARGCYP3A4HTR4CNR2
Trifluoroacetic Acid SCHEMBL4318940 0.80 CTSA (0.38) PDE2APPARGMAPK3MAPK1HDAC3
Trifluoroacetic Acid SCHEMBL4341766 0.80 CNR2 (0.55) RORCPPARGCYP3A4HTR4CNR2
SCHEMBL13578164 0.79 RORC (0.48) RORCPPARGMAPK3MAPK1
Trifluoroacetic Acid SCHEMBL4338398 0.78 PHGDH (0.44) PDE2AMAPK1ROCK2ROCK1
Trifluoroacetic Acid SCHEMBL4329744 0.77 CNR2 (0.66) PDE2ACYP2C9CYP3A4HTR4CNR2

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 PDE2A 964/4885RORC 135/4885PPARG 103/4885

“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.