Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2990503

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

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 1/20 0.41
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALOX5 P09917 6/20 0.33
MALT1 Q9UDY8 1/20 0.33
CLK1 P49759 2/20 0.33
CLK2 P49760 2/20 0.33
DYRK1A Q13627 2/20 0.33
DYRK3 O43781 2/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CSNK1E P49674 1/20 0.33
CLK3 P49761 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK2 Q92630 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK4 Q9NR20 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 SCHEMBL5054365 1.00 CISD1 (0.41) CISD1MEN1KMT2AALOX5MALT1
Trifluoroacetic Acid SCHEMBL2985114 0.92 CISD1 (0.39) CISD1MEN1KMT2AALOX5CLK1
Trifluoroacetic Acid SCHEMBL2985105 0.92 CISD1 (0.39) CISD1MEN1KMT2AALOX5CLK1
Trifluoroacetic Acid SCHEMBL2998976 0.91 CISD1 (0.39) CISD1MEN1KMT2AALOX5CLK1
Trifluoroacetic Acid SCHEMBL2998981 0.91 CISD1 (0.39) CISD1MEN1KMT2AALOX5CLK1
Trifluoroacetic Acid SCHEMBL2992312 0.90 L3MBTL1 (0.39) CISD1MEN1KMT2ACLK1CLK2
Trifluoroacetic Acid SCHEMBL2992314 0.90 L3MBTL1 (0.39) CISD1MEN1KMT2ACLK1CLK2
Trifluoroacetic Acid SCHEMBL2991145 0.90 CISD1 (0.39) CISD1MEN1KMT2AALOX5CLK1
Trifluoroacetic Acid SCHEMBL2991146 0.90 CISD1 (0.39) CISD1MEN1KMT2AALOX5CLK1
SCHEMBL2985112 0.90 CISD1 (0.40) CISD1MEN1KMT2AALOX5MALT1

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-20080214455-A1 Novel Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US 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

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 CISD1 3112/4885MEN1 3889/4885KMT2A 3294/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 CISD1 3370/4885MEN1 37/4885KMT2A 2272/4885

“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.