Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4089216

COCCNC(=O)c1ccc(Cl)c(NC2=NC(=O)C(=Cc3ccc4ncccc4c3)S2)c1.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
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 1/20 0.37
DYRK3 O43781 2/20 0.37
CISD1 Q9NZ45 1/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
BRAF P15056 2/20 0.36
CYP3A4 P08684 1/20 0.36
PIK3CD O00329 1/20 0.35
PIM1 P11309 1/20 0.35
CSNK2A2 P19784 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
CLK1 P49759 1/20 0.35
CLK3 P49761 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 SCHEMBL4089208 1.00 HDAC1 (0.39) HDAC1HDAC6KMT2AMEN1KDM4E
SCHEMBL2993800 0.95 HDAC1 (0.42) HDAC1HDAC6KMT2AMEN1KDM4E
SCHEMBL2993804 0.95 HDAC1 (0.42) HDAC1HDAC6KMT2AMEN1KDM4E
Trifluoroacetic Acid SCHEMBL4093830 0.92 DYRK3 (0.39) HDAC1HDAC6KMT2AMEN1MAPK1
Trifluoroacetic Acid SCHEMBL4093835 0.92 DYRK3 (0.39) HDAC1HDAC6KMT2AMEN1MAPK1
Trifluoroacetic Acid SCHEMBL4090201 0.91 HDAC1 (0.40) HDAC1HDAC6KMT2AMEN1KDM4E
Trifluoroacetic Acid SCHEMBL4090192 0.91 HDAC1 (0.40) HDAC1HDAC6KMT2AMEN1KDM4E
SCHEMBL4090195 0.89 HDAC1 (0.39) HDAC1HDAC6KMT2AMEN1KDM4E
Trifluoroacetic Acid SCHEMBL4083712 0.88 KMT2A (0.41) HDAC1HDAC6KMT2AMEN1DYRK3
Trifluoroacetic Acid SCHEMBL4090034 0.88 NPC1 (0.43) HDAC1HDAC6KDM4EMAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 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 (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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 HDAC1 1549/4885HDAC6 194/4885KMT2A 3294/4885

“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.