Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL551966

CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4csc(CN(C)C(C)C)c4)cc23)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.62
CHUK O15111 6/20 0.62
BTK Q06187 2/20 0.57
AURKA O14965 1/20 0.57
FLT3 P36888 1/20 0.57
CSNK1E P49674 1/20 0.57
CSF1R P07333 1/20 0.38

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
SCHEMBL552686 0.95 IKBKB (0.66) IKBKBCHUKBTKAURKAFLT3
Trifluoroacetic Acid SCHEMBL552179 0.94 IKBKB (0.59) IKBKBCHUKBTKAURKAFLT3
Trifluoroacetic Acid SCHEMBL553477 0.93 IKBKB (0.65) IKBKBCHUKBTKAURKAFLT3
Trifluoroacetic Acid SCHEMBL552422 0.92 IKBKB (0.60) IKBKBCHUKBTKAURKAFLT3
Trifluoroacetic Acid SCHEMBL552943 0.92 IKBKB (0.63) IKBKBCHUKBTKAURKAFLT3
Trifluoroacetic Acid SCHEMBL553526 0.92 IKBKB (0.59) IKBKBCHUKBTKAURKAFLT3
Trifluoroacetic Acid SCHEMBL552426 0.91 IKBKB (0.59) IKBKBCHUKBTKAURKAFLT3
Trifluoroacetic Acid SCHEMBL553156 0.91 IKBKB (0.62) IKBKBCHUKBTKAURKAFLT3
Trifluoroacetic Acid SCHEMBL552384 0.91 IKBKB (0.64) IKBKBCHUKBTKAURKAFLT3
Trifluoroacetic Acid SCHEMBL551583 0.91 IKBKB (0.61) IKBKBCHUKBTKAURKAFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354406-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-01-15 US disclosed
US-20120035164-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-02-09 US disclosed
US-8063071-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2011-11-22 US disclosed
US-20090143372-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 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 (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-20120035164-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA IKBKB 5/4885CHUK 9/4885BTK 386/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA IKBKB 5/4885CHUK 9/4885BTK 386/4885

“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.