Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL570732

NC1=NC2(c3cc(-c4cccnc4F)ccc3Oc3c2cc(C2=CCCOC2)nc3F)c2ccccc21.O=C(O)C(F)(F)F

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.65
CTSD P07339 2/20 0.65
CTSE P14091 1/20 0.65
BACE2 Q9Y5Z0 1/20 0.65

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
SCHEMBL571397 0.94 BACE1 (0.71) BACE1CTSDCTSEBACE2
SCHEMBL570562 0.94 BACE1 (0.71) BACE1CTSDCTSEBACE2
SCHEMBL570925 0.94 BACE1 (0.71) BACE1CTSDCTSEBACE2
Trifluoroacetic Acid SCHEMBL15063327 0.90 BACE1 (0.64) BACE1CTSDCTSEBACE2
SCHEMBL571238 0.88 BACE1 (0.71) BACE1CTSDCTSEBACE2
SCHEMBL10285427 0.87 BACE1 (0.67) BACE1CTSDCTSEBACE2
Trifluoroacetic Acid SCHEMBL15063344 0.85 BACE1 (0.64) BACE1CTSDCTSEBACE2
Trifluoroacetic Acid SCHEMBL570765 0.84 BACE1 (0.61) BACE1CTSD
Trifluoroacetic Acid SCHEMBL570934 0.84 BACE1 (0.54) BACE1
SCHEMBL571088 0.83 BACE1 (0.70) BACE1CTSDCTSEBACE2

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-8921363-B2 Derivatives of 1 H-isoindol-3-amine, 1 H-iso-aza-indol-3amine, 3,4-dihydroisoquinolin-1-amine, and 1,4-dihydroisoquinolin-3-amine as beta-secretase inhibitors AMGEN INC. (US) 2014-12-30 US disclosed
EP-2601197-B1 AMINO-ISO-INDOLE, AMINO-AZA-ISO-INDOLE, AMINO-DIHYDROISOQUINOLINE AND AMINO-BENZOXAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-06-25 EP disclosed
US-20130172343-A1 Derivatives of 1H-isoindol-3-amine, 1H-iso-aza-indol-3amine, 3,4-dihydroisoquinolin-1-amine, and 1,4-dihydroisoquinolin-3-amine as Beta-secretase Inhibitors AMGEN INC. (US) 2013-07-04 US disclosed
EP-2601197-A1 AMINO-ISO-INDOLE, AMINO-AZA-ISO-INDOLE, AMINO-DIHYDROISOQUINOLINE AND AMINO-BENZOXAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2013-06-12 EP disclosed
WO-2012019056-A1 AMINO-ISO-INDOLE, AMINO-AZA-ISO-INDOLE, AMINO-DIHYDROISOQUINOLINE AND AMINO-BENZOXAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2012-02-09 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 (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-20130172343-A1 Derivatives of 1H-isoindol-3-amine, 1H-iso-aza-indol-3amine, 3,4-dihydroisoquinolin-1-amine, and 1,4-dihydroisoquinolin-3-amine as Beta-secretase Inhibitors BACE1, BACE2, APP BACE1 1/4885CTSD 1819/4885CTSE 1420/4885

“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.