Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2086276

COc1ccc(C2(c3ccc(O)c(Br)c3)N=C(N)c3ccccc32)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.39
KCNH2 Q12809 3/20 0.39
BACE2 Q9Y5Z0 2/20 0.37
PDK2 Q15119 5/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
CTSD P07339 1/20 0.34
DHFR P00374 1/20 0.33
TYMS P04818 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
SCHEMBL8229147 0.91 BACE1 (0.42) BACE1KCNH2BACE2KMT2AMEN1
Trifluoroacetic Acid SCHEMBL2087790 0.85 BACE1 (0.43) BACE1KCNH2BACE2CTSD
Trifluoroacetic Acid SCHEMBL2085930 0.85 BACE1 (0.50) BACE1KCNH2BACE2PDK2CTSD
SCHEMBL2086277 0.84 BACE1 (0.39) BACE1KCNH2BACE2PDK2CTSD
Trifluoroacetic Acid SCHEMBL2085963 0.84 BACE1 (0.45) BACE1KCNH2BACE2PDK2CTSD
Trifluoroacetic Acid SCHEMBL2085926 0.83 BACE1 (0.52) BACE1KCNH2BACE2CTSD
Trifluoroacetic Acid SCHEMBL3989364 0.81 BACE1 (0.40) BACE1KCNH2BACE2PDK2CTSD
SCHEMBL2086072 0.81 BACE1 (0.49) BACE1KCNH2BACE2CTSD
Trifluoroacetic Acid SCHEMBL2086314 0.80 BACE1 (0.65) BACE1KCNH2BACE2CTSD
Trifluoroacetic Acid SCHEMBL2084205 0.79 BACE1 (0.54) BACE1KCNH2BACE2CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059992-A1 New Compounds ASTRAZENECA AB (SE) 2011-03-10 US disclosed
US-7855213-B2 Compounds ASTRAZENECA AB (SE) 2010-12-21 US disclosed
EP-2035378-A1 SUBSTITUTED ISOINDOLES AS BACE INHIBITORS AND THEIR USE AstraZeneca AB (SE) 2009-03-18 EP disclosed
US-20080171771-A1 New Compounds 391 ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2007149033-A1 SUBSTITUTED ISOINDOLES AS BACE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2007-12-27 WO 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 (2 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-20110059992-A1 New Compounds MAPT, PSEN2, PSEN1 BACE1 5/4885KCNH2 3126/4885BACE2 18/4885
US-20080171771-A1 New Compounds 391 PSEN2, PSEN1, MAPT BACE1 4/4885KCNH2 2710/4885BACE2 15/4885

“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.