Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2988928

CCOC(=O)c1cnc2ccc(/C=C3\SC(Nc4cc(NC(=O)C5CCC5)ccc4Cl)=NC3=O)cc2c1N1CCOCC1.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
GAA P10253 7/20 0.43
MAPT P10636 7/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
MC4R P32245 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PTK2B Q14289 1/20 0.41
MAPK1 P28482 2/20 0.40
CLK1 P49759 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
PKM P14618 1/20 0.40
TP53 P04637 2/20 0.40
DYRK1A Q13627 1/20 0.38
GBA1 P04062 3/20 0.38

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 SCHEMBL5049855 1.00 GAA (0.43) GAAMAPTMEN1KMT2ALMNA
Trifluoroacetic Acid SCHEMBL4586199 0.92 GBA1 (0.39) MAPTMEN1KMT2AGBA1HSD17B10
Trifluoroacetic Acid SCHEMBL4586182 0.92 GBA1 (0.39) MAPTMEN1KMT2AGBA1HSD17B10
Trifluoroacetic Acid SCHEMBL2990672 0.91 MAPT (0.43) GAAMAPTMEN1KMT2ALMNA
Trifluoroacetic Acid SCHEMBL5048576 0.91 MAPT (0.43) GAAMAPTMEN1KMT2ALMNA
SCHEMBL4586191 0.90 ALDH1A1 (0.37) GAAMAPTMEN1KMT2AGBA1
Trifluoroacetic Acid SCHEMBL2994084 0.89 DHODH (0.36) GAAMAPTMEN1KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL5049982 0.89 DHODH (0.36) GAAMAPTMEN1KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL2995873 0.87 SRC (0.35) GAAMAPTMEN1KMT2ALMNA
Trifluoroacetic Acid SCHEMBL4586305 0.87 SRC (0.35) GAAMAPTMEN1KMT2ALMNA

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 8 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
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 GAA 244/4885MAPT 1880/4885MEN1 3889/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 GAA 139/4885MAPT 721/4885MEN1 37/4885

“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.