Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4842600

CN(CCc1ccccc1)CC(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 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
LMNA P02545 3/20 0.38
KCNH2 Q12809 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
CDK4 P11802 1/20 0.37
CDK2 P24941 1/20 0.37
ABCB1 P08183 4/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CASR P41180 1/20 0.36
SLC6A3 Q01959 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
SCHEMBL5257529 0.94 MEN1 (0.42) CYP2D6CYP1A2CYP2C9CYP2C19ALDH1A1
Trifluoroacetic Acid SCHEMBL4842640 0.92 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ALMNA
Trifluoroacetic Acid SCHEMBL4840566 0.91 ALDH1A1 (0.39) ALDH1A1MAPTKMT2ALMNAMAPK1
Trifluoroacetic Acid SCHEMBL4838222 0.88 ACHE (0.41) KCNH2
Trifluoroacetic Acid SCHEMBL4834961 0.88 CDK4 (0.35) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL5255347 0.85 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2ALMNA
Trifluoroacetic Acid SCHEMBL5258414 0.83 MEN1 (0.43) MEN1KMT2A
SCHEMBL5260102 0.83 MAPK1 (0.40) ALDH1A1MAPTMEN1KMT2ALMNA
Trifluoroacetic Acid SCHEMBL4834051 0.83 KDM4E (0.45) ALDH1A1MEN1KMT2ACASR
Trifluoroacetic Acid SCHEMBL4834992 0.82 HDAC3 (0.36) SCD

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 CYP2D6 1106/4885CYP1A2 1343/4885CYP2C9 2451/4885

“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.