Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4332745

O=C(NC1(c2ccccc2)CC1)c1nc(-c2cccc3cccnc23)n2ccccc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.36
DYRK1A Q13627 1/20 0.35
AKT1 P31749 3/20 0.35
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
MAST3 O60307 1/20 0.34
MAPK8 P45983 1/20 0.34
GUCY1B2 O75343 1/20 0.34
GUCY1A2 P33402 1/20 0.34
GUCY1A1 Q02108 1/20 0.34
GUCY1B1 Q02153 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
UBE2N P61088 1/20 0.34
PKLR P30613 4/20 0.34
PDE2A O00408 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
TBXA2R P21731 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33

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
SCHEMBL13578314 0.95 CD38 (0.39) CD38DYRK1AAKT1CNR2MAST3
Trifluoroacetic Acid SCHEMBL4328532 0.85 GUCY1B2 (0.39) CD38CNR2CNR1MAST3MAPK8
Trifluoroacetic Acid SCHEMBL4323359 0.84 SCN9A (0.38) CD38CNR2PDE2A
SCHEMBL13578313 0.82 SCN9A (0.39) CD38CNR2PDE2A
Trifluoroacetic Acid SCHEMBL4329692 0.82 CD38 (0.42) CD38DYRK1ACNR2MAST3MAPK8
Trifluoroacetic Acid SCHEMBL4331256 0.82 PDE2A (0.39) CD38CNR2CNR1GUCY1B2GUCY1A2
SCHEMBL13578303 0.81 GUCY1B2 (0.41) CD38DYRK1ACNR2CNR1MAST3
Trifluoroacetic Acid SCHEMBL4329931 0.81 DYRK1A (0.49) CD38DYRK1AL3MBTL1PDE2A
Trifluoroacetic Acid SCHEMBL4331013 0.81 CNR2 (0.40) CD38DYRK1ACNR2CNR1GUCY1B2
Trifluoroacetic Acid SCHEMBL4326012 0.80 CNR2 (0.45) CD38CNR2CNR1MAST3MAPK8

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 785/4885DYRK1A 1478/4885AKT1 2591/4885

“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.