Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9932499

N#Cc1cncc(-c2ccc3c(c2)[C@@]2(CSC(N)=N2)[C@H]2C[C@@H](O)CC[C@@H]2O3)c1.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.58
CTSD P07339 6/20 0.51
CTSB P07858 3/20 0.42
KCNH2 Q12809 2/20 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
SCHEMBL9882284 0.93 BACE1 (0.57) BACE1CTSDCTSBKCNH2
SCHEMBL9932371 0.93 BACE1 (0.57) BACE1CTSDCTSBKCNH2
Trifluoroacetic Acid SCHEMBL9931707 0.90 BACE1 (0.71) BACE1CTSDCTSB
Trifluoroacetic Acid SCHEMBL9931844 0.83 BACE1 (0.47) BACE1CTSDCTSB
SCHEMBL15299777 0.83 BACE1 (0.80) BACE1CTSDCTSBKCNH2
SCHEMBL9882701 0.83 BACE1 (0.72) BACE1CTSDCTSB
SCHEMBL9882692 0.82 BACE1 (0.54) BACE1CTSDCTSB
SCHEMBL9931907 0.81 BACE1 (0.74) BACE1CTSDCTSB
SCHEMBL9931502 0.81 BACE1 (0.74) BACE1CTSDCTSB
SCHEMBL9882512 0.81 BACE1 (0.74) BACE1CTSDCTSB

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 224/4885CTSB 87/4885

“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.