Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3418235

Cc1cc2c(-c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)ccnc2[nH]1.O=C(O)C(F)(F)F

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 16/20 0.69
CHUK O15111 16/20 0.69
AURKB Q96GD4 1/20 0.57
AURKAIP1 Q9NWT8 1/20 0.57
ROCK1 Q13464 1/20 0.46
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR55 Q9Y2T6 1/20 0.41
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
SCHEMBL3417604 0.92 IKBKB (0.80) IKBKBCHUKAURKBAURKAIP1ROCK1
Trifluoroacetic Acid SCHEMBL3414044 0.91 IKBKB (0.68) IKBKBCHUKAURKBAURKAIP1ROCK1
Trifluoroacetic Acid SCHEMBL3415886 0.89 IKBKB (0.54) IKBKBCHUKAURKBAURKAIP1GAA
Trifluoroacetic Acid SCHEMBL3415624 0.88 IKBKB (0.55) IKBKBCHUKAURKBAURKAIP1GAA
Trifluoroacetic Acid SCHEMBL3417526 0.86 IKBKB (0.66) IKBKBCHUKAURKBAURKAIP1ROCK1
SCHEMBL3413927 0.85 IKBKB (0.56) IKBKBCHUKAURKBAURKAIP1ROCK1
SCHEMBL3418445 0.84 IKBKB (0.57) IKBKBCHUKAURKBAURKAIP1ROCK1
Trifluoroacetic Acid SCHEMBL3413920 0.84 IKBKB (0.68) IKBKBCHUKAURKBAURKAIP1ROCK1
Trifluoroacetic Acid SCHEMBL3418442 0.83 IKBKB (0.69) IKBKBCHUKAURKBAURKAIP1ROCK1
SCHEMBL3412666 0.83 IKBKB (0.84) 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.