Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2994084

CCOC(=O)c1cnc2ccc(/C=C3\SC(Nc4cc(NC(=O)C5CCC5)ccc4Cl)=NC3=O)cc2c1N(C)C.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.36
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
MAPT P10636 5/20 0.34
GAA P10253 2/20 0.34
TP53 P04637 1/20 0.34
EGFR P00533 2/20 0.34
ATM Q13315 1/20 0.33
PDE5A O76074 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 1/20 0.33
PSMD14 O00487 1/20 0.33
THRB P10828 1/20 0.33
PAX8 Q06710 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 SCHEMBL5049982 1.00 DHODH (0.36) DHODHMEN1KMT2AMAPTGAA
Trifluoroacetic Acid SCHEMBL2995873 0.89 SRC (0.35) DHODHMEN1KMT2AMAPTGAA
Trifluoroacetic Acid SCHEMBL4586305 0.89 SRC (0.35) DHODHMEN1KMT2AMAPTGAA
Trifluoroacetic Acid SCHEMBL2988928 0.89 GAA (0.43) MEN1KMT2AMAPTGAATP53
Trifluoroacetic Acid SCHEMBL5049855 0.89 GAA (0.43) MEN1KMT2AMAPTGAATP53
SCHEMBL2989487 0.87 MAPT (0.41) MEN1KMT2AMAPTGAATP53
SCHEMBL5050823 0.87 MAPT (0.41) MEN1KMT2AMAPTGAATP53
Trifluoroacetic Acid SCHEMBL2991044 0.87 DHODH (0.38) DHODHMEN1KMT2AEGFRPSMD14
Trifluoroacetic Acid SCHEMBL5049812 0.87 DHODH (0.38) DHODHMEN1KMT2AEGFRPSMD14
Trifluoroacetic Acid SCHEMBL2994088 0.85 GBA1 (0.34) MEN1KMT2AEGFR

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 DHODH 3049/4885MEN1 3889/4885KMT2A 3294/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 DHODH 2825/4885MEN1 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.