Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4095080

O=C(CN1CCOCC1)Nc1ccc(Cl)c(NC2=NC(=O)C(=Cc3ccc4ncccc4c3)S2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 4/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
OGA O60502 1/20 0.40
POLB P06746 1/20 0.40
HPSE Q9Y251 1/20 0.38
LMNA P02545 2/20 0.38
APAF1 O14727 1/20 0.38
MITF O75030 1/20 0.38
CASP7 P55210 1/20 0.38
CASP9 P55211 1/20 0.38
CASP6 P55212 1/20 0.38
CASP8 Q14790 1/20 0.38
MAPT P10636 1/20 0.38
EGFR P00533 1/20 0.37
APP P05067 1/20 0.37
DYRK3 O43781 1/20 0.37
MET P08581 1/20 0.36

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 SCHEMBL4095073 1.00 WNT3A (0.40) WNT3AALDH1A1GAANPSR1L3MBTL1
SCHEMBL2993556 0.95 ALDH1A1 (0.44) WNT3AALDH1A1GAANPSR1OGA
SCHEMBL2993552 0.95 ALDH1A1 (0.44) WNT3AALDH1A1GAANPSR1OGA
Trifluoroacetic Acid SCHEMBL4093888 0.94 OGA (0.40) ALDH1A1GAAOGALMNAMAPT
Trifluoroacetic Acid SCHEMBL4093894 0.94 OGA (0.40) ALDH1A1GAAOGALMNAMAPT
Trifluoroacetic Acid SCHEMBL4091117 0.93 OGA (0.39) ALDH1A1GAAOGAHPSELMNA
Trifluoroacetic Acid SCHEMBL4091128 0.93 OGA (0.39) ALDH1A1GAAOGAHPSELMNA
Trifluoroacetic Acid SCHEMBL4102095 0.93 OGA (0.39) ALDH1A1GAAOGALMNAMAPT
Trifluoroacetic Acid SCHEMBL4102103 0.93 OGA (0.39) ALDH1A1GAAOGALMNAMAPT
SCHEMBL2985521 0.89 OGA (0.43) ALDH1A1OGAEGFRDYRK3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 US disclosed
EP-1885362-A2 NOVEL CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-02-13 EP disclosed
WO-2006127458-A2 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-30 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 (1 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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 WNT3A 808/4885ALDH1A1 4089/4885GAA 244/4885

“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.