Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2993620

NC(=O)c1cnc2ccc(/C=C3\SC(Nc4c(Cl)cccc4Cl)=NC3=O)cc2c1-c1ccncc1.O=C(O)C(F)(F)F

nearest known ligand 0.37

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 10/20 0.37
CD38 P28907 1/20 0.37
CISD1 Q9NZ45 1/20 0.35
MTOR P42345 4/20 0.35
PIK3CA P42336 2/20 0.35
PIK3CB P42338 2/20 0.35
PIK3CG P48736 2/20 0.35
PIK3CD O00329 1/20 0.35
GAK O14976 1/20 0.35
RPS6KA4 O75676 1/20 0.35
STK10 O94804 1/20 0.35
PIM1 P11309 1/20 0.35
CSNK2A2 P19784 1/20 0.35
MAP2K2 P36507 1/20 0.35
CSNK1D P48730 1/20 0.35
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
CSNK1G2 P78368 1/20 0.35
MAP2K1 Q02750 1/20 0.35
DYRK1A Q13627 1/20 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
Trifluoroacetic Acid SCHEMBL2993622 1.00 CSF1R (0.37) CSF1RCD38CISD1MTORPIK3CA
Trifluoroacetic Acid SCHEMBL4587415 0.94 CLK1 (0.36) CSF1RCD38CISD1MTORPIK3CA
Trifluoroacetic Acid SCHEMBL4587416 0.94 CLK1 (0.36) CSF1RCD38CISD1MTORPIK3CA
Trifluoroacetic Acid SCHEMBL2998139 0.89 SRC (0.40) CISD1MAPT
Trifluoroacetic Acid SCHEMBL4586029 0.89 SRC (0.40) CISD1MAPT
Trifluoroacetic Acid SCHEMBL2992312 0.87 L3MBTL1 (0.39) CSF1RCD38CISD1MTORPIK3CA
Trifluoroacetic Acid SCHEMBL2992314 0.87 L3MBTL1 (0.39) CSF1RCD38CISD1MTORPIK3CA
Trifluoroacetic Acid SCHEMBL2986098 0.83 MEN1 (0.42) CSF1RCISD1PDE4BKCNH2MAPT
Trifluoroacetic Acid SCHEMBL2986094 0.83 MEN1 (0.42) CSF1RCISD1PDE4BKCNH2MAPT
Trifluoroacetic Acid SCHEMBL2985105 0.82 CISD1 (0.39) CISD1MTORPIK3CAPIK3CBPIK3CG

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 CSF1R 4362/4885CD38 2990/4885CISD1 3112/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 CSF1R 745/4885CD38 2536/4885CISD1 3370/4885

“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.