Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2998142

CCc1nc2ccc(C=C3SC(Nc4c(Cl)cccc4Cl)=NC3=O)cc2c(-c2ccncc2)c1C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 2/20 0.43
FABP4 P15090 2/20 0.43
FABP5 Q01469 1/20 0.43
CISD1 Q9NZ45 1/20 0.36
FTO Q9C0B1 1/20 0.31
PIK3CD O00329 1/20 0.31
GAK O14976 1/20 0.31
RPS6KA4 O75676 1/20 0.31
STK10 O94804 1/20 0.31
PIM1 P11309 1/20 0.31
CSNK2A2 P19784 1/20 0.31
MAP2K2 P36507 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
MTOR P42345 1/20 0.31
CSNK1D P48730 1/20 0.31
PIK3CG P48736 1/20 0.31
CLK1 P49759 1/20 0.31
CLK2 P49760 1/20 0.31
CSNK1G2 P78368 1/20 0.31

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 SCHEMBL4587416 0.85 CLK1 (0.36) CISD1FTOPIK3CDGAKRPS6KA4
Trifluoroacetic Acid SCHEMBL4587415 0.85 CLK1 (0.36) CISD1FTOPIK3CDGAKRPS6KA4
SCHEMBL2984473 0.84 CISD1 (0.40) FABP3FABP4FABP5CISD1
Trifluoroacetic Acid SCHEMBL2995877 0.84 FABP3 (0.35) FABP3FABP4FABP5CISD1
SCHEMBL2993018 0.83 CISD1 (0.39) FABP3FABP4FABP5CISD1
Trifluoroacetic Acid SCHEMBL4586029 0.83 SRC (0.40) CISD1
Trifluoroacetic Acid SCHEMBL2998139 0.83 SRC (0.40) CISD1
Trifluoroacetic Acid SCHEMBL2993622 0.82 CSF1R (0.37) CISD1PIK3CDGAKRPS6KA4STK10
Trifluoroacetic Acid SCHEMBL2993620 0.82 CSF1R (0.37) CISD1PIK3CDGAKRPS6KA4STK10
SCHEMBL2993654 0.81 CISD1 (0.38) FABP3FABP4FABP5CISD1

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 FABP3 263/4885FABP4 2558/4885FABP5 1941/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 FABP3 3153/4885FABP4 393/4885FABP5 3323/4885

“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.