Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2990672

CCOC(=O)c1cnc2ccc(/C=C3\SC(Nc4cc(NC(=O)C(C)C)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
MAPT P10636 8/20 0.43
GAA P10253 8/20 0.43
PKM P14618 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 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
TP53 P04637 2/20 0.39
DYRK1A Q13627 1/20 0.39
USP2 O75604 1/20 0.39

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 SCHEMBL5048576 1.00 MAPT (0.43) MAPTGAAPKMMEN1KMT2A
Trifluoroacetic Acid SCHEMBL2988374 0.94 MEN1 (0.47) MAPTGAAMEN1KMT2ALMNA
Trifluoroacetic Acid SCHEMBL5048553 0.94 MEN1 (0.47) MAPTGAAMEN1KMT2ALMNA
Trifluoroacetic Acid SCHEMBL4585816 0.92 MEN1 (0.37) MAPTGAAMEN1KMT2ALMNA
Trifluoroacetic Acid SCHEMBL4585836 0.92 MEN1 (0.37) MAPTGAAMEN1KMT2ALMNA
SCHEMBL4585828 0.91 GAA (0.35) MAPTGAAPKMMEN1KMT2A
Trifluoroacetic Acid SCHEMBL5049855 0.91 GAA (0.43) MAPTGAAPKMMEN1KMT2A
Trifluoroacetic Acid SCHEMBL2988928 0.91 GAA (0.43) MAPTGAAPKMMEN1KMT2A
Trifluoroacetic Acid SCHEMBL4585709 0.86 ENPP2 (0.39) MAPTMEN1KMT2ATP53MAPK10
Trifluoroacetic Acid SCHEMBL4585722 0.86 ENPP2 (0.39) MAPTMEN1KMT2ATP53MAPK10

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 MAPT 1880/4885GAA 244/4885PKM 3017/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 MAPT 721/4885GAA 139/4885PKM 198/4885

“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.