Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4325899

O=C(NC(C1CC1)C1CC1)c1nc(-c2ccncc2)c2ccccn12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K3 P46734 1/20 0.54
CNR2 P34972 1/20 0.51
RORC P51449 11/20 0.43
PPARG P37231 2/20 0.40
RAD51 Q06609 1/20 0.40
HTR4 Q13639 2/20 0.37
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL13578142 0.94 MAP2K3 (0.60) MAP2K3CNR2RORCRAD51HTR4
Trifluoroacetic Acid SCHEMBL4320381 0.90 CNR2 (0.51) MAP2K3CNR2RORCPPARGHTR4
Trifluoroacetic Acid SCHEMBL4341502 0.85 CNR2 (0.48) CNR2RORCPPARG
SCHEMBL13578002 0.85 CNR2 (0.53) MAP2K3CNR2RORCPPARGHTR4
Trifluoroacetic Acid SCHEMBL4327394 0.84 MAP2K3 (0.54) MAP2K3CNR2RORCPPARGRAD51
Trifluoroacetic Acid SCHEMBL4341766 0.83 CNR2 (0.55) CNR2RORCPPARGHTR4
Trifluoroacetic Acid SCHEMBL4321534 0.82 MAP2K3 (0.51) MAP2K3RORCPPARGHTR4
Trifluoroacetic Acid SCHEMBL4339626 0.82 MAP2K3 (0.53) MAP2K3RORCPPARGRAD51HTR4
Trifluoroacetic Acid SCHEMBL4325308 0.81 CNR2 (0.53) MAP2K3CNR2RORCPPARGRAD51
Trifluoroacetic Acid SCHEMBL4325507 0.81 MAP2K3 (0.50) MAP2K3CNR2RORCHTR4

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 MAP2K3 1970/4885CNR2 1/4885RORC 135/4885

“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.