Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4333538

O=C(Nc1ccncn1)c1nc(-c2cccnc2)n2ccccc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 5/20 0.52
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
EPHX2 P34913 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
DYRK1A Q13627 1/20 0.38
KMT2A Q03164 2/20 0.37

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
SCHEMBL13578316 0.94 ATR (0.58) ATRCHRNB2CHRNB4CHRNA3CHRNA4
Trifluoroacetic Acid SCHEMBL4319298 0.91 CHRNB2 (0.46) ATRCHRNB2CHRNB4CHRNA3CHRNA4
Trifluoroacetic Acid SCHEMBL4324540 0.89 L3MBTL1 (0.45) ATRCHRNB2CHRNB4CHRNA3CHRNA4
Trifluoroacetic Acid SCHEMBL4329693 0.89 CHRNB2 (0.43) ATRCHRNB2CHRNB4CHRNA3CHRNA4
Trifluoroacetic Acid SCHEMBL4339812 0.86 MPL (0.45) ATRCHRNB2CHRNB4CHRNA3CHRNA4
Trifluoroacetic Acid SCHEMBL4320128 0.86 CHRNB2 (0.41) ATRCHRNB2CHRNB4CHRNA3CHRNA4
Trifluoroacetic Acid SCHEMBL4334571 0.85 CHRNB2 (0.41) ATRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4327554 0.85 ATR (0.57) ATRCHRNB2CHRNB4CHRNA3CHRNA4
Trifluoroacetic Acid SCHEMBL4334749 0.85 CHRNB2 (0.44) ATRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13578317 0.85 CHRNB2 (0.48) ATRCHRNB2CHRNB4CHRNA3CHRNA4

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 ATR 3829/4885CHRNB2 199/4885CHRNB4 188/4885

“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.