Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3487386

CCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(OCC(O)CN3CCOCC3)c21.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 11/20 0.57
RPS6KA1 Q15418 9/20 0.57
RPS6KA5 O75582 3/20 0.57
ROCK1 Q13464 10/20 0.51
AKT2 P31751 5/20 0.47
AKT3 Q9Y243 1/20 0.47
SLC2A1 P11166 2/20 0.47
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
ABCB1 P08183 1/20 0.41

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
SCHEMBL4068507 0.94 AKT1 (0.64) AKT1RPS6KA1RPS6KA5ROCK1AKT2
SCHEMBL3487389 0.89 AKT1 (0.56) AKT1RPS6KA1RPS6KA5ROCK1AKT2
Trifluoroacetic Acid SCHEMBL3489269 0.89 AKT1 (0.65) AKT1RPS6KA1RPS6KA5ROCK1AKT2
Trifluoroacetic Acid SCHEMBL3488757 0.88 AKT1 (0.66) AKT1RPS6KA1RPS6KA5ROCK1AKT2
Trifluoroacetic Acid SCHEMBL5063595 0.85 AKT1 (0.62) AKT1RPS6KA1RPS6KA5ROCK1AKT2
Trifluoroacetic Acid SCHEMBL5062747 0.84 AKT1 (0.68) AKT1RPS6KA1RPS6KA5ROCK1AKT2
Trifluoroacetic Acid SCHEMBL5058517 0.82 AKT1 (0.78) AKT1RPS6KA1RPS6KA5ROCK1AKT2
Trifluoroacetic Acid SCHEMBL4247430 0.82 AKT1 (0.66) AKT1RPS6KA1RPS6KA5ROCK1AKT2
Trifluoroacetic Acid SCHEMBL5063576 0.82 AKT1 (0.85) AKT1RPS6KA1RPS6KA5ROCK1AKT2
Trifluoroacetic Acid SCHEMBL5062740 0.82 AKT1 (0.74) AKT1RPS6KA1RPS6KA5ROCK1AKT2

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 13 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
EP-1954286-A2 INHIBITORS OF AKT ACTIVITY SmithKline Beecham Corporation (US) 2008-08-13 EP disclosed
EP-1948185-A2 INHIBITORS OF AKT ACTIVITY SmithKline Beecham Corporation (US) 2008-07-30 EP disclosed
US-20080076763-A1 Inhibitors of Akt activity GLAXOSMITHKLINE LLC 2008-03-27 US disclosed
WO-2007058879-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-05-24 WO disclosed
WO-2007058852-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-05-24 WO 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.