Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5067652

CCn1c(-c2nonc2N)nc2c(-c3cccc(Cl)c3)ncc(OCC3CCNCC3)c21.O=C(O)C(F)(F)F

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.67
ROCK1 Q13464 14/20 0.67
RPS6KA1 Q15418 11/20 0.67
AKT2 P31751 9/20 0.67
AKT3 Q9Y243 6/20 0.67
RPS6KA5 O75582 8/20 0.55
CIT O14578 1/20 0.49
DCLK1 O15075 1/20 0.49
DAPK3 O43293 1/20 0.49
NUAK1 O60285 1/20 0.49
PIP5K1C O60331 1/20 0.49
ROCK2 O75116 1/20 0.49
ULK1 O75385 1/20 0.49
RPS6KA4 O75676 1/20 0.49
PRKD3 O94806 1/20 0.49
SMC2 O95347 1/20 0.49
LATS1 O95835 1/20 0.49
PAK4 O96013 1/20 0.49
CHEK2 O96017 1/20 0.49
PRKCB P05771 1/20 0.49

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 SCHEMBL5058455 0.93 AKT1 (0.61) AKT1ROCK1RPS6KA1AKT2AKT3
SCHEMBL4072293 0.93 AKT1 (0.62) AKT1ROCK1RPS6KA1AKT2AKT3
Trifluoroacetic Acid SCHEMBL5067624 0.90 ROCK1 (0.65) AKT1ROCK1RPS6KA1AKT2AKT3
Trifluoroacetic Acid SCHEMBL5062918 0.89 AKT1 (0.67) AKT1ROCK1RPS6KA1AKT2AKT3
Trifluoroacetic Acid SCHEMBL5066169 0.87 ROCK1 (0.61) AKT1ROCK1RPS6KA1AKT2AKT3
Trifluoroacetic Acid SCHEMBL5058476 0.86 AKT1 (0.64) AKT1ROCK1RPS6KA1AKT2AKT3
SCHEMBL5058465 0.86 AKT1 (0.53) AKT1ROCK1RPS6KA1AKT2AKT3
Trifluoroacetic Acid SCHEMBL5063101 0.86 AKT1 (0.60) AKT1ROCK1RPS6KA1AKT2AKT3
SCHEMBL4066128 0.86 AKT1 (0.69) AKT1ROCK1RPS6KA1AKT2AKT3
Trifluoroacetic Acid SCHEMBL5067615 0.86 AKT1 (0.72) AKT1ROCK1RPS6KA1AKT2AKT3

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
US-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 US disclosed
US-20070161665-A1 Cancer treatment method SMITHKLINE BEECHAM CORPORATION 2007-07-12 US disclosed
EP-1682123-A1 CANCER TREATMENT METHOD SmithKline Beecham (Cork) Limited (IE) 2006-07-26 EP disclosed
WO-2005046678-A1 CANCER TREATMENT METHOD SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2005-05-26 WO 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 (2 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 AKT1 5/4885ROCK1 478/4885RPS6KA1 127/4885
US-20070161665-A1 Cancer treatment method ERBB2, EGFR, PIK3CA AKT1 24/4885ROCK1 1167/4885RPS6KA1 185/4885

“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.