Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3418200

Cc1cc2c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)ccnc2[nH]1.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 15/20 0.56
CHUK O15111 15/20 0.56
AURKB Q96GD4 1/20 0.52
AURKAIP1 Q9NWT8 1/20 0.52
ROCK1 Q13464 1/20 0.50
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CIT O14578 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.42
POLB P06746 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
SCHEMBL3414583 0.91 IKBKB (0.66) IKBKBCHUKAURKBAURKAIP1ROCK1
Trifluoroacetic Acid SCHEMBL3411060 0.91 IKBKB (0.57) IKBKBCHUKAURKBAURKAIP1ROCK1
Trifluoroacetic Acid SCHEMBL3414420 0.87 IKBKB (0.52) IKBKBCHUKAURKBAURKAIP1ALDH1A1
Trifluoroacetic Acid SCHEMBL3416436 0.86 IKBKB (0.58) IKBKBCHUKCIT
Trifluoroacetic Acid SCHEMBL3413647 0.86 IKBKB (0.53) IKBKBCHUKROCK1ALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL3416251 0.85 IKBKB (0.55) IKBKBCHUKCIT
Trifluoroacetic Acid SCHEMBL3416980 0.84 IKBKB (0.48) IKBKBCHUKAURKBAURKAIP1ROCK1
Trifluoroacetic Acid SCHEMBL3415936 0.84 IKBKB (0.51) IKBKBCHUKROCK1ALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL3410074 0.84 IKBKB (0.51) IKBKBCHUKAURKBAURKAIP1ROCK1
Trifluoroacetic Acid SCHEMBL3415316 0.83 IKBKB (0.47) 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 6 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
EP-2069341-A1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS Glaxo Group Limited (GB) 2009-06-17 EP 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
WO-2008034860-A1 PYRROLO[2, 3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS IKK2 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-03-27 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 (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.