Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3415778

Cc1cc2c(-c3ccc(S(=O)(=O)N(C)CCO)cc3)ccnc2[nH]1.O=C(O)C(F)(F)F

nearest known ligand 0.85

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 17/20 0.85
CHUK O15111 17/20 0.85
AURKB Q96GD4 1/20 0.85
AURKAIP1 Q9NWT8 1/20 0.85
NEK1 Q96PY6 1/20 0.60
ROCK1 Q13464 2/20 0.52
CIT O14578 1/20 0.44
CYP2C9 P11712 1/20 0.41

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
SCHEMBL3418376 0.92 IKBKB (1.00) IKBKBCHUKAURKBAURKAIP1NEK1
Trifluoroacetic Acid SCHEMBL3415921 0.91 CHUK (0.70) IKBKBCHUKAURKBAURKAIP1NEK1
Trifluoroacetic Acid SCHEMBL3417526 0.89 IKBKB (0.66) IKBKBCHUKAURKBAURKAIP1NEK1
Trifluoroacetic Acid SCHEMBL3418292 0.88 CHUK (0.66) IKBKBCHUKAURKBAURKAIP1NEK1
SCHEMBL3415782 0.86 IKBKB (0.71) IKBKBCHUKAURKBAURKAIP1NEK1
Trifluoroacetic Acid SCHEMBL3418235 0.82 IKBKB (0.69) IKBKBCHUKAURKBAURKAIP1ROCK1
SCHEMBL3416009 0.81 IKBKB (0.79) IKBKBCHUKAURKBAURKAIP1NEK1
Trifluoroacetic Acid SCHEMBL3418197 0.81 IKBKB (0.76) IKBKBCHUKAURKBAURKAIP1NEK1
SCHEMBL3414676 0.81 IKBKB (0.74) IKBKBCHUKAURKBAURKAIP1NEK1
Trifluoroacetic Acid SCHEMBL3414786 0.81 IKBKB (0.64) IKBKBCHUKAURKBAURKAIP1ROCK1

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
EP-2069341-B1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS GLAXO GROUP LTD (GB) 2010-12-29 EP disclosed
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2010-02-11 US disclosed
US-20080176891-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-07-24 US disclosed
US-20080146606-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-06-19 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 (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-20080176891-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE IKBKB 4/4885CHUK 8/4885AURKB 159/4885
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS PLK2, PDXK, MAP4K2 IKBKB 428/4885CHUK 300/4885AURKB 136/4885
US-20080146606-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE IKBKB 4/4885CHUK 8/4885AURKB 159/4885

“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.