Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3278943

O=C(O)C(F)(F)F.O=c1ncc2cncnc2[nH]1

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.31
PAX8 Q06710 1/20 0.31
DPP4 P27487 1/20 0.30
DPP7 Q9UHL4 1/20 0.30

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
SCHEMBL1270307 0.85 EGFR (0.33)
SCHEMBL30375316 0.85 EGFR (0.33)
Trifluoroacetic Acid SCHEMBL28810979 0.81 PDE3B (0.38) HRH4HRH3L3MBTL1PAX8
Trifluoroacetic Acid SCHEMBL29713497 0.78 DAO (0.48) HRH4HRH3L3MBTL1PAX8
Trifluoroacetic Acid SCHEMBL28264177 0.77 BACE1 (0.37) HRH4HRH3L3MBTL1PAX8DPP4
Trifluoroacetic Acid SCHEMBL29627038 0.76 EGLN1 (0.36) DPP4DPP7
Trifluoroacetic Acid SCHEMBL28330487 0.74 ABL1 (0.34) HRH4HRH3L3MBTL1PAX8DPP4
Trifluoroacetic Acid SCHEMBL28780341 0.74 RIPK1 (0.40) HRH4HRH3
Trifluoroacetic Acid SCHEMBL6998134 0.71 ADORA3 (0.43) L3MBTL1PAX8
Trifluoroacetic Acid SCHEMBL28162941 0.70 EGFR (0.35) HRH4HRH3L3MBTL1PAX8DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700768-B2 Compounds GLAXOSMITHKLINE LLC (US) 2010-04-20 US disclosed
US-7629462-B2 Tetrasubstituted pyrimidine compounds as chemical intermediates SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 US disclosed
US-20090048442-A1 Novel compounds SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
US-20070238743-A1 1,5-DISUBSTITUTED-3,4-DIHYDRO-1H-PYRIMIDO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CSBP/P38 KINASE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2007-10-11 US disclosed
US-20070167467-A1 1,5-DISUBSTITUTED-3,4-DIHYDRO-1H-PYRIMIDO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CSBP/P38 KINASE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2007-07-19 US disclosed
US-7235551-B2 1,5-disubstituted-3,4-dihydro-1h-pyrimido[4,5-d]pyrimidin-2-one compounds and their use in treating csbp/p38 kinase mediated diseases SMITHKLINE BEECHAM CORPORATION (US) 2007-06-26 US 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 (3 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-20070167467-A1 1,5-DISUBSTITUTED-3,4-DIHYDRO-1H-PYRIMIDO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CSBP/P38 KINASE MEDIATED DISEASES MAPKAPK2, CREBBP, CNBP HRH4 3240/4885HRH3 3785/4885L3MBTL1 1342/4885
US-20070238743-A1 1,5-DISUBSTITUTED-3,4-DIHYDRO-1H-PYRIMIDO[4,5-D]PYRIMIDIN-2-ONE COMPOUNDS AND THEIR USE IN TREATING CSBP/P38 KINASE MEDIATED DISEASES MAPKAPK2, CREBBP, CNBP HRH4 3240/4885HRH3 3785/4885L3MBTL1 1342/4885
US-20090048442-A1 Novel compounds CREBBP, MAPKAPK2, CNBP HRH4 3801/4885HRH3 3639/4885L3MBTL1 1147/4885

“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.