Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3415921

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

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 15/20 0.70
▸ IKBKB O14920 14/20 0.70
▸ AURKB Q96GD4 1/20 0.70
▸ AURKAIP1 Q9NWT8 1/20 0.70
▸ ROCK1 Q13464 2/20 0.55
▸ NEK1 Q96PY6 1/20 0.49
▸ CIT O14578 1/20 0.44
▸ MAP3K5 Q99683 1/20 0.41
▸ INSR P06213 1/20 0.39
▸ MAPK8 P45983 1/20 0.39
▸ CAMKK2 Q96RR4 1/20 0.39
▸ AAK1 Q2M2I8 1/20 0.39

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
SCHEMBL3416009 0.92 IKBKB (0.79) CHUKIKBKBAURKBAURKAIP1ROCK1
Trifluoroacetic Acid SCHEMBL3415778 0.91 IKBKB (0.85) CHUKIKBKBAURKBAURKAIP1ROCK1
Trifluoroacetic Acid SCHEMBL3413914 0.89 CHUK (0.54) CHUKIKBKBAURKBAURKAIP1ROCK1
Trifluoroacetic Acid SCHEMBL3417526 0.86 IKBKB (0.66) CHUKIKBKBAURKBAURKAIP1ROCK1
SCHEMBL3416753 0.84 IKBKB (0.58) CHUKIKBKBAURKBAURKAIP1ROCK1
Trifluoroacetic Acid SCHEMBL3416747 0.84 IKBKB (0.74) CHUKIKBKBAURKBAURKAIP1ROCK1
SCHEMBL3415782 0.83 IKBKB (0.71) CHUKIKBKBAURKBAURKAIP1ROCK1
SCHEMBL3418376 0.83 IKBKB (1.00) CHUKIKBKBAURKBAURKAIP1ROCK1
Trifluoroacetic Acid SCHEMBL3416699 0.82 IKBKB (0.83) CHUKIKBKBAURKBAURKAIP1ROCK1
SCHEMBL3417820 0.81 IKBKB (0.59) CHUKIKBKBAURKBAURKAIP1ROCK1

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 CHUK 8/4885IKBKB 4/4885AURKB 159/4885
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS PLK2, PDXK, MAP4K2 CHUK 300/4885IKBKB 428/4885AURKB 136/4885
US-20080146606-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE CHUK 8/4885IKBKB 4/4885AURKB 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.

Send feedback