Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4329692

O=C(NC1(c2ccccc2)CC1)c1nc(-c2ccncc2)n2ccccc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.42
PDE2A O00408 7/20 0.39
MAPK1 P28482 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DYRK1A Q13627 1/20 0.39
MAP2K3 P46734 1/20 0.37
CNR2 P34972 2/20 0.37
MAST3 O60307 1/20 0.36
MAPK8 P45983 1/20 0.36
TACR3 P29371 2/20 0.36
CYP46A1 Q9Y6A2 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
SCHEMBL13578300 0.95 CD38 (0.45) CD38PDE2AMAPK1POLBHPGD
Trifluoroacetic Acid SCHEMBL4329931 0.91 DYRK1A (0.49) CD38PDE2AMAPK1POLBHPGD
Trifluoroacetic Acid SCHEMBL4331013 0.90 CNR2 (0.40) CD38PDE2AMAPK1POLBHPGD
Trifluoroacetic Acid SCHEMBL4331242 0.89 L3MBTL1 (0.45) CD38PDE2AMAPK1POLBHPGD
SCHEMBL4333065 0.88 HPGD (0.46) CD38PDE2AMAPK1POLBHPGD
Trifluoroacetic Acid SCHEMBL4327328 0.87 CNR2 (0.40) CD38PDE2AMAPK1POLBHPGD
Trifluoroacetic Acid SCHEMBL4324774 0.86 L3MBTL1 (0.43) CD38PDE2AMAPK1POLBHPGD
SCHEMBL13578307 0.85 CNR2 (0.42) CD38MAPK1POLBHPGDSMN1; SMN2
Trifluoroacetic Acid SCHEMBL4328532 0.85 GUCY1B2 (0.39) CD38PDE2AMAPK1POLBHPGD
SCHEMBL13578301 0.85 DYRK1A (0.52) CD38MAPK1POLBHPGDSMN1; SMN2

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 CD38 785/4885PDE2A 964/4885MAPK1 1113/4885

“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.