Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1780994

O=C(Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12)c1cccc(CN2CCCC(OCc3ccccc3)C2)n1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.52
PIK3CG P48736 6/20 0.52
PIK3CB P42338 5/20 0.52
PIM1 P11309 5/20 0.52
GSK3B P49841 5/20 0.52
PIK3CA P42336 5/20 0.52
ROCK2 O75116 2/20 0.37
CCR2 P41597 2/20 0.37
ROCK1 Q13464 2/20 0.37
DRD4 P21917 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
TRPV1 Q8NER1 4/20 0.35
GYS1 P13807 1/20 0.35
CDK14 O94921 2/20 0.34
CCNY Q8ND76 2/20 0.34
HPGDS O60760 1/20 0.34

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
SCHEMBL457403 0.96 PIK3CD (0.55) PIK3CDPIK3CGPIK3CBPIM1GSK3B
Trifluoroacetic Acid SCHEMBL1781056 0.90 PIK3CD (0.55) PIK3CDPIK3CGPIK3CBPIM1GSK3B
SCHEMBL2212989 0.86 PIK3CD (0.54) PIK3CDPIK3CGPIK3CBPIM1GSK3B
SCHEMBL459137 0.86 PIK3CD (0.59) PIK3CDPIK3CGPIK3CBPIM1GSK3B
Trifluoroacetic Acid SCHEMBL1780544 0.85 PIK3CD (0.52) PIK3CDPIK3CGPIK3CBPIM1GSK3B
Trifluoroacetic Acid SCHEMBL1779645 0.85 PIK3CD (0.55) PIK3CDPIK3CGPIK3CBPIM1GSK3B
Formic Acid SCHEMBL15482316 0.84 PIK3CD (0.51) PIK3CDPIK3CGPIK3CBPIM1GSK3B
Trifluoroacetic Acid SCHEMBL1778146 0.84 PIK3CD (0.51) PIK3CDPIK3CGPIK3CBPIM1GSK3B
SCHEMBL15482317 0.84 PIK3CD (0.48) PIK3CDPIK3CGPIK3CBPIM1GSK3B
Trifluoroacetic Acid SCHEMBL1781168 0.83 PIK3CD (0.54) PIK3CDPIK3CGPIK3CBPIM1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765743-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-07-01 US disclosed
US-20110118246-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2011-05-19 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 (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-20110118246-A1 Novel Compounds PIK3CA, PIK3C2B, PIK3CD PIK3CD 3/4885PIK3CG 9/4885PIK3CB 4/4885

“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.