Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2995873

CCOC(=O)c1cnc2ccc(/C=C3\SC(Nc4cc(NC(=O)C5CCC5)ccc4Cl)=NC3=O)cc2c1-c1ccncc1.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.35
DHODH Q02127 1/20 0.35
EGFR P00533 3/20 0.34
PDE5A O76074 1/20 0.34
MAPT P10636 7/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
THRB P10828 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32

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 SCHEMBL4586305 1.00 SRC (0.35) SRCDHODHEGFRPDE5AMAPT
Trifluoroacetic Acid SCHEMBL5049982 0.89 DHODH (0.36) DHODHEGFRPDE5AMAPTGAA
Trifluoroacetic Acid SCHEMBL2994084 0.89 DHODH (0.36) DHODHEGFRPDE5AMAPTGAA
Trifluoroacetic Acid SCHEMBL2988928 0.87 GAA (0.43) MAPTGAASMN1; SMN2TP53LMNA
Trifluoroacetic Acid SCHEMBL5049855 0.87 GAA (0.43) MAPTGAASMN1; SMN2TP53LMNA
SCHEMBL5050823 0.86 MAPT (0.41) SRCEGFRMAPTGAASMN1; SMN2
SCHEMBL2989487 0.86 MAPT (0.41) SRCEGFRMAPTGAASMN1; SMN2
Trifluoroacetic Acid SCHEMBL2995877 0.86 FABP3 (0.35) EGFR
Trifluoroacetic Acid SCHEMBL2991044 0.85 DHODH (0.38) DHODHEGFRMEN1KMT2A
Trifluoroacetic Acid SCHEMBL5049812 0.85 DHODH (0.38) DHODHEGFRMEN1KMT2A

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 SRC 2902/4885DHODH 3049/4885EGFR 4159/4885
US-20100184774-A1 METHODS OF TREATMENT OPRL1, BRCA1, PKD1 SRC 1767/4885DHODH 2825/4885EGFR 2273/4885

“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.