Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL310846

CO[C@](C)(Oc1cc(C[C@@H]2C[S@@+]([O-])C[C@H](N)[C@H]2O)cc(F)c1N)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSD P07339 19/20 0.35
BACE1 P56817 19/20 0.35
CYP3A4 P08684 10/20 0.35

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
SCHEMBL4258897 0.61 BACE1 (0.73) CTSDBACE1CYP3A4
SCHEMBL25564365 0.50 NOTUM (0.46) CYP3A4
Trifluoroacetic Acid SCHEMBL15540595 0.50 KDM1A (0.54)
Trifluoroacetic Acid SCHEMBL6424560 0.49 KDM4E (0.71) CYP3A4
Trifluoroacetic Acid SCHEMBL5608598 0.49 ALDH1A1 (0.42)
Trifluoroacetic Acid SCHEMBL5608594 0.49 ALDH1A1 (0.42)
SCHEMBL2636963 0.48 PGK1 (0.43) CTSDBACE1CYP3A4
Trifluoroacetic Acid SCHEMBL21459005 0.48 OAT (0.33)
Trifluoroacetic Acid SCHEMBL17582693 0.47 ALDH1A1 (0.47)
Trifluoroacetic Acid SCHEMBL2267588 0.47 ALDH1A1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093406-B2 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors NOVARTIS AG (CH) 2012-01-10 US disclosed
EP-2303857-A1 CYCLIC SULFONES WITH AMINOBENZYL SUBSTITUTION USEFUL AS BACE INHIBITORS Novartis AG (CH) 2011-04-06 EP disclosed
US-20100056490-A1 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors NOVARTIS AG (CH) 2010-03-04 US disclosed
WO-2010003976-A1 CYCLIC SULFONES WITH AMINOBENZYL SUBSTITUTION USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2010-01-14 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-20100056490-A1 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors BACE2, BACE1, APP CTSD 33/4885BACE1 2/4885CYP3A4 816/4885

“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.