Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4339626

O=C(NC1Cc2ccccc2C1)c1nc(-c2ccncc2)c2ccccn12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K3 P46734 1/20 0.53
RORC P51449 8/20 0.42
RAD51 Q06609 1/20 0.41
ROCK1 Q13464 1/20 0.40
HTR4 Q13639 3/20 0.40
PPARG P37231 1/20 0.39
CNR1 P21554 1/20 0.37
WNT1 P04628 1/20 0.36
DYRK1A Q13627 1/20 0.36
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
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

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
SCHEMBL13578146 0.93 MAP2K3 (0.60) MAP2K3RORCRAD51ROCK1HTR4
Trifluoroacetic Acid SCHEMBL4336494 0.90 RORC (0.44) MAP2K3RORCHTR4PPARGCNR1
Trifluoroacetic Acid SCHEMBL4321534 0.87 MAP2K3 (0.51) MAP2K3RORCHTR4PPARGCNR1
Trifluoroacetic Acid SCHEMBL4325507 0.86 MAP2K3 (0.50) MAP2K3RORCHTR4CNR1WNT1
Trifluoroacetic Acid SCHEMBL4318631 0.85 ATM (0.45) RORCHTR4PPARG
Trifluoroacetic Acid SCHEMBL4327668 0.84 MAP2K3 (0.48) MAP2K3RORCHTR4PPARGCNR1
SCHEMBL13578189 0.84 MAP2K3 (0.45) MAP2K3RORCRAD51HTR4PPARG
Trifluoroacetic Acid SCHEMBL4333533 0.83 KDM4E (0.49) MAP2K3ROCK1CNR1KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL4325479 0.82 MAP2K3 (0.46) MAP2K3RORCHTR4CNR1HIF1A
Trifluoroacetic Acid SCHEMBL4325899 0.82 MAP2K3 (0.54) MAP2K3RORCRAD51HTR4PPARG

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 1970/4885RORC 135/4885RAD51 4753/4885

“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.