Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2992312

NC(=O)c1ccnc2ccc(/C=C3\SC(Nc4c(Cl)cccc4Cl)=NC3=O)cc12.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
CISD1 Q9NZ45 1/20 0.38
PDE4B Q07343 3/20 0.35
KDM4E B2RXH2 1/20 0.34
CLK1 P49759 2/20 0.34
CLK2 P49760 2/20 0.34
DYRK1A Q13627 2/20 0.34
DYRK3 O43781 2/20 0.34
CSNK1E P49674 1/20 0.34
CLK3 P49761 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK2 Q92630 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK4 Q9NR20 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
CD38 P28907 1/20 0.34
MTOR P42345 3/20 0.33
PIK3CD O00329 1/20 0.33
GAK O14976 1/20 0.33
RPS6KA4 O75676 1/20 0.33

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 SCHEMBL2992314 1.00 L3MBTL1 (0.39) L3MBTL1CISD1PDE4BKDM4ECLK1
Trifluoroacetic Acid SCHEMBL2985114 0.93 CISD1 (0.39) CISD1KDM4ECLK1CLK2DYRK1A
Trifluoroacetic Acid SCHEMBL2985105 0.93 CISD1 (0.39) CISD1KDM4ECLK1CLK2DYRK1A
Trifluoroacetic Acid SCHEMBL2998976 0.90 CISD1 (0.39) CISD1PDE4BKDM4ECLK1CLK2
Trifluoroacetic Acid SCHEMBL5054365 0.90 CISD1 (0.41) L3MBTL1CISD1KDM4ECLK1CLK2
Trifluoroacetic Acid SCHEMBL2998981 0.90 CISD1 (0.39) CISD1PDE4BKDM4ECLK1CLK2
Trifluoroacetic Acid SCHEMBL2990503 0.90 CISD1 (0.41) L3MBTL1CISD1KDM4ECLK1CLK2
Trifluoroacetic Acid SCHEMBL2991145 0.90 CISD1 (0.39) L3MBTL1CISD1PDE4BKDM4ECLK1
Trifluoroacetic Acid SCHEMBL2991146 0.90 CISD1 (0.39) L3MBTL1CISD1PDE4BKDM4ECLK1
Trifluoroacetic Acid SCHEMBL2990638 0.88 PIK3CA (0.43) L3MBTL1CISD1KDM4ECLK1CLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US claimed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP claimed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP claimed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 WO claimed
US-20100184774-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION 2010-07-22 US disclosed
EP-2164494-A1 METHODS OF TREATMENT GlaxoSmithKline LLC (US) 2010-03-24 EP disclosed
WO-2008150837-A1 METHODS OF TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
EP-1879563-A4 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-07-16 EP disclosed
EP-1879563-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-01-23 EP disclosed
WO-2006132739-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-14 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 (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-20080214455-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 L3MBTL1 611/4885CISD1 3112/4885PDE4B 2337/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 L3MBTL1 404/4885CISD1 3370/4885PDE4B 1723/4885

“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.