Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2994088

CCc1nc2ccc(C=C3SC(Nc4cc(NC(=O)C5CCC5)ccc4Cl)=NC3=O)cc2c(N(C)C)c1C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 5/20 0.34
EGFR P00533 3/20 0.32
CTNNB1 P35222 2/20 0.32
TCF7L2 Q9NQB0 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MCHR1 Q99705 4/20 0.31
MCHR2 Q969V1 1/20 0.31
CISD1 Q9NZ45 1/20 0.31
GLA P06280 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31

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 SCHEMBL2995877 0.89 FABP3 (0.35) GBA1EGFRMCHR1MCHR2CISD1
Trifluoroacetic Acid SCHEMBL2988931 0.88 GBA1 (0.39) GBA1EGFRMCHR1GLA
SCHEMBL2989491 0.87 EGFR (0.34) GBA1EGFRMEN1KMT2AMCHR1
Trifluoroacetic Acid SCHEMBL2991046 0.87 EGFR (0.33) GBA1EGFRMCHR1MCHR2CISD1
Trifluoroacetic Acid SCHEMBL2991042 0.87 EGFR (0.33) GBA1EGFRMCHR1MCHR2CISD1
Trifluoroacetic Acid SCHEMBL5049982 0.85 DHODH (0.36) EGFRMEN1KMT2A
Trifluoroacetic Acid SCHEMBL2994084 0.85 DHODH (0.36) EGFRMEN1KMT2A
SCHEMBL4586161 0.83 PTGDR2 (0.34) GBA1EGFRMCHR1CISD1PTGDR2
SCHEMBL4586168 0.83 PTGDR2 (0.34) GBA1EGFRMCHR1CISD1PTGDR2
Trifluoroacetic Acid SCHEMBL4585467 0.80 EGFR (0.35) EGFRMEN1KMT2ACISD1

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 GBA1 487/4885EGFR 4159/4885CTNNB1 3920/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 GBA1 606/4885EGFR 2273/4885CTNNB1 245/4885

“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.