Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2085963

COc1ccc(C2(c3ccc(O)c(-c4cccnc4)c3)N=C(N)c3ccccc32)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.45
KCNH2 Q12809 7/20 0.45
CTSD P07339 4/20 0.40
CTSE P14091 1/20 0.40
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
BACE2 Q9Y5Z0 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP17A1 P05093 1/20 0.37
PDK2 Q15119 1/20 0.37
CFTR P13569 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
Trifluoroacetic Acid SCHEMBL2085930 0.92 BACE1 (0.50) BACE1KCNH2CTSDBACE2PDK2
SCHEMBL3545511 0.92 BACE1 (0.51) BACE1KCNH2CTSDCTSECYP11B1
Trifluoroacetic Acid SCHEMBL2084310 0.91 BACE1 (0.54) BACE1KCNH2CTSDCTSEBACE2
Trifluoroacetic Acid SCHEMBL2087790 0.90 BACE1 (0.43) BACE1KCNH2CTSDBACE2
SCHEMBL2085964 0.86 BACE1 (0.45) BACE1KCNH2CTSDCTSECYP11B1
Trifluoroacetic Acid SCHEMBL2086314 0.84 BACE1 (0.65) BACE1KCNH2CTSDBACE2
Trifluoroacetic Acid SCHEMBL2086276 0.84 BACE1 (0.39) BACE1KCNH2CTSDBACE2PDK2
Trifluoroacetic Acid SCHEMBL2084205 0.84 BACE1 (0.54) BACE1KCNH2CTSDCTSEBACE2
SCHEMBL3552580 0.84 BACE1 (0.55) BACE1KCNH2CTSDBACE2
Trifluoroacetic Acid SCHEMBL2085926 0.82 BACE1 (0.52) BACE1KCNH2CTSDBACE2

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 claimed
US-20080171771-A1 New Compounds 391 ASTRAZENECA AB (SE) 2008-07-17 US claimed
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
US-20080171771-A1 New Compounds 391 ASTRAZENECA AB (SE) 2008-07-17 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 (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 3126/4885CTSD 1916/4885
US-20080171771-A1 New Compounds 391 PSEN2, PSEN1, MAPT BACE1 4/4885KCNH2 2710/4885CTSD 1715/4885

“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.