Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9931196

NC1=N[C@]2(CO1)c1cc(-c3cncnc3)ccc1O[C@H]1CC[C@@H](OCC3CC3)CC12.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.56
CTSD P07339 2/20 0.56
CYP2D6 P10635 3/20 0.46
KCNH2 Q12809 2/20 0.44

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 SCHEMBL9931764 1.00 BACE1 (0.56) BACE1CTSDCYP2D6KCNH2
Trifluoroacetic Acid SCHEMBL9931744 1.00 BACE1 (0.56) BACE1CTSDCYP2D6KCNH2
Trifluoroacetic Acid SCHEMBL9932334 1.00 BACE1 (0.56) BACE1CTSDCYP2D6KCNH2
Trifluoroacetic Acid SCHEMBL9932675 1.00 BACE1 (0.56) BACE1CTSDCYP2D6KCNH2
SCHEMBL9882627 0.93 BACE1 (0.64) BACE1CTSDCYP2D6KCNH2
SCHEMBL9931851 0.93 BACE1 (0.64) BACE1CTSDCYP2D6KCNH2
SCHEMBL9932159 0.93 BACE1 (0.64) BACE1CTSDCYP2D6KCNH2
SCHEMBL9882522 0.93 BACE1 (0.64) BACE1CTSDCYP2D6KCNH2
SCHEMBL9882687 0.93 BACE1 (0.64) BACE1CTSDCYP2D6KCNH2
SCHEMBL10238205 0.93 BACE1 (0.64) BACE1CTSDCYP2D6KCNH2

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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES GENENTECH, INC. 2012-06-21 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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 BACE1 1/4885CTSD 224/4885CYP2D6 4201/4885

“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.