Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3415896

CS(=O)(=O)Nc1ccc(-c2ccnc3[nH]c(CC(=O)O)cc23)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHUK O15111 13/20 0.59
IKBKB O14920 11/20 0.59
INSR P06213 2/20 0.56
MAPK8 P45983 2/20 0.56
CAMKK2 Q96RR4 2/20 0.56
ROCK1 Q13464 1/20 0.47
CCNT1 O60563 1/20 0.47
CDK9 P50750 1/20 0.47
CIT O14578 3/20 0.43
CLK1 P49759 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK2 Q92630 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
MAPK10 P53779 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
SCHEMBL3412071 0.94 CHUK (0.66) CHUKIKBKBINSRMAPK8CAMKK2
Trifluoroacetic Acid SCHEMBL3412768 0.92 CHUK (0.56) CHUKIKBKBINSRMAPK8CAMKK2
Trifluoroacetic Acid SCHEMBL3412028 0.91 CHUK (0.53) CHUKIKBKBINSRMAPK8CAMKK2
Trifluoroacetic Acid SCHEMBL3416274 0.91 CHUK (0.55) CHUKIKBKBINSRMAPK8CAMKK2
Trifluoroacetic Acid SCHEMBL3414154 0.90 CHUK (0.54) CHUKIKBKBINSRMAPK8CAMKK2
Trifluoroacetic Acid SCHEMBL3414748 0.88 CHUK (0.53) CHUKIKBKBINSRMAPK8CAMKK2
Trifluoroacetic Acid SCHEMBL3416996 0.88 CHUK (0.52) CHUKIKBKBINSRMAPK8CAMKK2
Trifluoroacetic Acid SCHEMBL3410081 0.88 CHUK (0.52) CHUKIKBKBINSRMAPK8CAMKK2
Trifluoroacetic Acid SCHEMBL3415710 0.87 CHUK (0.51) CHUKIKBKBINSRMAPK8CAMKK2
Trifluoroacetic Acid SCHEMBL3414450 0.86 CHUK (0.50) CHUKIKBKBINSRMAPK8CAMKK2

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 4/4885INSR 1849/4885
US-20100035917-A1 PYRROLO[2,3-B]PYRIDIN-4-YL-BENZENESULFONAMIDE COMPOUNDS AS 1KK2 INHIBITORS PLK2, PDXK, MAP4K2 CHUK 300/4885IKBKB 428/4885INSR 2029/4885
US-20080146606-A1 NOVEL COMPOUNDS NFKBIA, IKBKG, IKBKE CHUK 8/4885IKBKB 4/4885INSR 1849/4885

“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.