Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5066165

Nc1nonc1-c1nc2c(-c3ccccc3)ncc(NCCCNC[C@H](O)CO)c2n1C1CCCC1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 8/20 0.41
AKT1 P31749 5/20 0.41
RPS6KA1 Q15418 5/20 0.41
AKT2 P31751 3/20 0.41
SLC2A1 P11166 1/20 0.38
RPS6KA5 O75582 3/20 0.37
RPS6KB1 P23443 7/20 0.37
PRKACA P17612 4/20 0.37
GSK3B P49841 3/20 0.37
AKT3 Q9Y243 1/20 0.33
TSHR P16473 1/20 0.33
PDE2A O00408 1/20 0.33
PDE5A O76074 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE7A Q13946 1/20 0.33
PDE3A Q14432 1/20 0.33
PDE10A Q9Y233 1/20 0.33

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
SCHEMBL5066166 0.91 AKT1 (0.37) ROCK1AKT1RPS6KA1AKT2SLC2A1
Trifluoroacetic Acid SCHEMBL5066235 0.89 AKT1 (0.46) ROCK1AKT1RPS6KA1AKT2SLC2A1
Trifluoroacetic Acid SCHEMBL5058475 0.86 SLC2A1 (0.38) ROCK1AKT1RPS6KA1AKT2SLC2A1
Trifluoroacetic Acid SCHEMBL5058418 0.84 AKT1 (0.47) ROCK1AKT1RPS6KA1AKT2SLC2A1
Trifluoroacetic Acid SCHEMBL5067601 0.84 SLC2A1 (0.37) ROCK1AKT1RPS6KA1AKT2SLC2A1
Trifluoroacetic Acid SCHEMBL5058479 0.80 AKT1 (0.49) ROCK1AKT1RPS6KA1AKT2SLC2A1
Trifluoroacetic Acid SCHEMBL5066120 0.78 AKT1 (0.67) ROCK1AKT1RPS6KA1AKT2SLC2A1
SCHEMBL5067603 0.77 RPS6KA5 (0.35) ROCK1AKT1RPS6KA1AKT2SLC2A1
Trifluoroacetic Acid SCHEMBL5066431 0.77 AKT1 (0.65) ROCK1AKT1RPS6KA1AKT2SLC2A1
SCHEMBL5058420 0.76 AKT1 (0.42) ROCK1AKT1RPS6KA1AKT2SLC2A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 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 (1 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-20080255143-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 ROCK1 478/4885AKT1 5/4885RPS6KA1 127/4885

“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.