Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3489269

CCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(OCCN3CCOCC3)c21.O=C(O)C(F)(F)F

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.65
RPS6KA1 Q15418 14/20 0.65
RPS6KA5 O75582 6/20 0.65
ROCK1 Q13464 15/20 0.56
SLC2A1 P11166 1/20 0.50
AKT2 P31751 6/20 0.49
AKT3 Q9Y243 3/20 0.49
CDC7 O00311 1/20 0.47
PLK4 O00444 1/20 0.47
AURKA O14965 1/20 0.47
DAPK3 O43293 1/20 0.47
ROCK2 O75116 1/20 0.47
PRKD3 O94806 1/20 0.47
PRKCG P05129 1/20 0.47
LCK P06239 1/20 0.47
PIM1 P11309 1/20 0.47
PRKACA P17612 1/20 0.47
RPS6KB1 P23443 1/20 0.47
CDK2 P24941 1/20 0.47
MARK3 P27448 1/20 0.47

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 SCHEMBL3488757 0.96 AKT1 (0.66) AKT1RPS6KA1RPS6KA5ROCK1SLC2A1
Trifluoroacetic Acid SCHEMBL4247430 0.93 AKT1 (0.66) AKT1RPS6KA1RPS6KA5ROCK1SLC2A1
SCHEMBL4069034 0.93 AKT1 (0.74) AKT1RPS6KA1RPS6KA5ROCK1SLC2A1
Trifluoroacetic Acid SCHEMBL5063595 0.93 AKT1 (0.62) AKT1RPS6KA1RPS6KA5ROCK1SLC2A1
Trifluoroacetic Acid SCHEMBL5062985 0.92 AKT1 (0.64) AKT1RPS6KA1RPS6KA5ROCK1SLC2A1
Trifluoroacetic Acid SCHEMBL4244854 0.91 AKT1 (0.63) AKT1RPS6KA1RPS6KA5ROCK1SLC2A1
Trifluoroacetic Acid SCHEMBL5062862 0.90 AKT1 (0.67) AKT1RPS6KA1RPS6KA5ROCK1SLC2A1
Trifluoroacetic Acid SCHEMBL4072380 0.90 AKT1 (0.67) AKT1RPS6KA1RPS6KA5ROCK1SLC2A1
SCHEMBL4067805 0.89 AKT1 (0.75) AKT1RPS6KA1RPS6KA5ROCK1SLC2A1
Trifluoroacetic Acid SCHEMBL3487386 0.89 AKT1 (0.57) AKT1RPS6KA1RPS6KA5ROCK1SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056523-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-03-04 US disclosed
US-7625890-B2 Substituted imidazo[4,5-c]pyridine compounds as Akt inhibitors SMITHKLINE BEECHAM CORP. (US) 2009-12-01 US disclosed
US-20090227616-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION, A CORPORATION 2009-09-10 US disclosed
EP-1653961-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2009-04-01 EP disclosed
US-20080269131-A1 Protein kinase B ; 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-{[(3S)-3-piperidinylmethyl]oxy}-1H-imidazo[4,5-c]pyridin-4-yl)-2-methyl-3-butyn-2-ol; 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-{[(2S)-2-morpholinylmethyl]oxy}-1H-imidazo[4,5-c]pyridin-4-yl)-2-methyl-3-butyn-2-ol; cancer and arthritis SMITHKLINE BEECHAM CORPORATION 2008-10-30 US disclosed
US-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 US disclosed
US-20080076763-A1 Inhibitors of Akt activity GLAXOSMITHKLINE LLC 2008-03-27 US disclosed
EP-1653961-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2005011700-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 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 (5 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-20090227616-A1 INHIBITORS OF AKT ACTIVITY PI4KB, PIK3CA, AKT2 AKT1 5/4885RPS6KA1 127/4885RPS6KA5 156/4885
US-20080076763-A1 Inhibitors of Akt activity PI4KB, PIK3CA, AKT2 AKT1 5/4885RPS6KA1 127/4885RPS6KA5 156/4885
US-20100056523-A1 INHIBITORS OF AKT ACTIVITY PI4KB, PIK3CA, AKT2 AKT1 5/4885RPS6KA1 127/4885RPS6KA5 156/4885
US-20080269131-A1 Protein kinase B ; 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-{[(3S)-3-piperidinylmethyl]oxy}-1H-imidazo[4,5-c]pyridin-4-yl)-2-methyl-3-butyn-2-ol; 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-{[(2S)-2-morpholinylmethyl]oxy}-1H-imidazo[4,5-c]pyridin-4-yl)-2-methyl-3-butyn-2-ol; cancer and arthritis MAP4K2, MAPKAPK2, PTK2B AKT1 254/4885RPS6KA1 216/4885RPS6KA5 234/4885
US-20080255143-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 AKT1 5/4885RPS6KA1 127/4885RPS6KA5 156/4885

“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.