Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4333546

C[C@@H](NC(=O)c1nc(Cl)c2ccccn12)C(C)(C)C.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.49
HTR4 Q13639 3/20 0.38
CYP3A4 P08684 1/20 0.36
HAT1 O14929 2/20 0.35
EP300 Q09472 2/20 0.35
EGLN1 Q9GZT9 2/20 0.35
RORC P51449 3/20 0.35
PPARG P37231 1/20 0.35
CNR1 P21554 1/20 0.35
FPR1 P21462 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34

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 SCHEMBL4329955 1.00 CNR2 (0.49) CNR2HTR4CYP3A4HAT1EP300
SCHEMBL13578225 0.93 CNR2 (0.52) CNR2HTR4ALDH1A1KDM4EKMT2A
SCHEMBL13578226 0.93 CNR2 (0.52) CNR2HTR4ALDH1A1KDM4EKMT2A
Trifluoroacetic Acid SCHEMBL4328508 0.84 PDE2A (0.38) CNR2HTR4CYP3A4RORCPPARG
Trifluoroacetic Acid SCHEMBL4324553 0.83 ATM (0.46) CNR2RORCPPARG
Trifluoroacetic Acid SCHEMBL4329948 0.83 ATM (0.46) CNR2RORCPPARG
Trifluoroacetic Acid SCHEMBL4341277 0.83 CNR2 (0.46) CNR2HTR4CYP3A4RORCPPARG
Trifluoroacetic Acid SCHEMBL4341766 0.83 CNR2 (0.55) CNR2HTR4CYP3A4RORCPPARG
Trifluoroacetic Acid SCHEMBL4327394 0.83 MAP2K3 (0.54) CNR2HTR4CYP3A4RORCPPARG
Trifluoroacetic Acid SCHEMBL4324541 0.83 CNR2 (0.46) CNR2HTR4RORCPPARGALDH1A1

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 CNR2 1/4885HTR4 254/4885CYP3A4 761/4885

“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.