Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4846072

NC(=O)[C@@H]1CCCN1CC(O)COc1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 11/20 0.37
SCN9A Q15858 2/20 0.37
RECQL P46063 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
SPHK2 Q9NRA0 1/20 0.34
SPHK1 Q9NYA1 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 SCHEMBL4846064 1.00 CHEK2 (0.37) CHEK2SCN9ARECQLMAOAMAOB
SCHEMBL4838868 0.95 CHEK2 (0.39) CHEK2RECQLMAOAMAOB
SCHEMBL4838864 0.95 CHEK2 (0.39) CHEK2RECQLMAOAMAOB
Trifluoroacetic Acid SCHEMBL4844135 0.88 CHEK2 (0.42) CHEK2SCN9A
Trifluoroacetic Acid SCHEMBL4844127 0.88 CHEK2 (0.42) CHEK2SCN9A
Trifluoroacetic Acid SCHEMBL4843666 0.87 KMT2A (0.41) CHEK2SCN9A
Trifluoroacetic Acid SCHEMBL4844114 0.87 KMT2A (0.41) CHEK2SCN9ARECQL
Trifluoroacetic Acid SCHEMBL4841950 0.87 SCN1A (0.44) SCN9A
Trifluoroacetic Acid SCHEMBL4841798 0.85 MEN1 (0.53) CHEK2SCN9A
Trifluoroacetic Acid SCHEMBL4839418 0.84 SCN1A (0.42) SCN9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7410966-B2 Use of and some novel imidazopyridines ASTRAZENECA AB (SE) 2008-08-12 US disclosed
EP-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP disclosed
US-20050261333-A1 Use of and some novel imidazopyridines ASTRAZENECA A B (SE) 2005-11-24 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-20050261333-A1 Use of and some novel imidazopyridines ITK, CSNK1A1, RPS6KA1 CHEK2 309/4885SCN9A 2294/4885RECQL 519/4885

“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.