Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3410092

O=C(O)C(F)(F)F.O=S(=O)(c1ccc(-c2ccnc3[nH]c(CNCc4ccccc4)cc23)cc1)N1CCCC1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.48
CHUK O15111 4/20 0.48
ALDH1A1 P00352 3/20 0.43
NAMPT P43490 4/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
ROCK1 Q13464 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AURKA O14965 2/20 0.40
AURKB Q96GD4 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
Trifluoroacetic Acid SCHEMBL3414112 0.94 NAMPT (0.49) IKBKBCHUKALDH1A1NAMPTKMT2A
SCHEMBL3415927 0.93 IKBKB (0.55) IKBKBCHUKALDH1A1NAMPTKDM4E
Trifluoroacetic Acid SCHEMBL3413341 0.89 IKBKB (0.48) IKBKBCHUKALDH1A1ROCK1L3MBTL1
Trifluoroacetic Acid SCHEMBL3414398 0.87 IKBKB (0.47) IKBKBCHUKALDH1A1NAMPTPOLB
Trifluoroacetic Acid SCHEMBL3416037 0.86 IKBKB (0.47) IKBKBCHUKALDH1A1NAMPTROCK1
Trifluoroacetic Acid SCHEMBL3416846 0.86 AURKB (0.48) IKBKBCHUKALDH1A1ROCK1L3MBTL1
Trifluoroacetic Acid SCHEMBL3413647 0.86 IKBKB (0.53) IKBKBCHUKALDH1A1ROCK1L3MBTL1
Trifluoroacetic Acid SCHEMBL3412002 0.86 IKBKB (0.49) IKBKBCHUKALDH1A1KDM4EPOLB
SCHEMBL3414123 0.85 IKBKB (0.52) IKBKBCHUKALDH1A1NAMPTKMT2A
Trifluoroacetic Acid SCHEMBL3412137 0.85 IKBKB (0.47) IKBKBCHUKALDH1A1POLBROCK1

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 8/4885ALDH1A1 4154/4885
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS PLK2, PDXK, MAP4K2 IKBKB 428/4885CHUK 300/4885ALDH1A1 2180/4885
US-20080146606-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE IKBKB 4/4885CHUK 8/4885ALDH1A1 4154/4885

“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.