Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3488229

CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCNCC3)c21.O=C(O)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 18/20 1.00
▸ ROCK1 Q13464 16/20 1.00
▸ RPS6KA1 Q15418 15/20 1.00
▸ AKT2 P31751 13/20 1.00
▸ AKT3 Q9Y243 6/20 1.00
▸ RPS6KA5 O75582 7/20 0.82
▸ GSK3B P49841 3/20 0.75
▸ CIT O14578 1/20 0.75
▸ DCLK1 O15075 1/20 0.75
▸ DAPK3 O43293 1/20 0.75
▸ NUAK1 O60285 1/20 0.75
▸ PIP5K1C O60331 1/20 0.75
▸ ROCK2 O75116 1/20 0.75
▸ ULK1 O75385 1/20 0.75
▸ RPS6KA4 O75676 1/20 0.75
▸ PRKD3 O94806 1/20 0.75
▸ SMC2 O95347 1/20 0.75
▸ LATS1 O95835 1/20 0.75
▸ PAK4 O96013 1/20 0.75
▸ CHEK2 O96017 1/20 0.75

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
SCHEMBL10053680 0.94 AKT1 (0.91) AKT1ROCK1RPS6KA1AKT2AKT3
Hydrochloric Acid SCHEMBL690160 0.94 AKT1 (0.90) AKT1ROCK1RPS6KA1AKT2AKT3
SCHEMBL3487696 0.90 AKT1 (1.00) AKT1ROCK1RPS6KA1AKT2AKT3
SCHEMBL3488233 0.90 AKT1 (0.81) AKT1ROCK1RPS6KA1AKT2AKT3
SCHEMBL15446768 0.87 AKT1 (0.83) AKT1ROCK1RPS6KA1AKT2AKT3
Gsk-690693 SCHEMBL2195376 0.86 AKT1 (1.00) AKT1ROCK1RPS6KA1AKT2AKT3
Gsk-690693 SCHEMBL310452 0.86 AKT1 (1.00) AKT1ROCK1RPS6KA1AKT2AKT3
Trifluoroacetic Acid SCHEMBL3488230 0.85 AKT1 (0.88) AKT1ROCK1RPS6KA1AKT2AKT3
Trifluoroacetic Acid SCHEMBL4291984 0.84 AKT1 (0.73) AKT1ROCK1RPS6KA1AKT2AKT3
Trifluoroacetic Acid SCHEMBL3488625 0.84 AKT1 (0.88) 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 12 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
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
EP-1948188-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-2007058850-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

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 5/4885ROCK1 478/4885RPS6KA1 127/4885
US-20080076763-A1 Inhibitors of Akt activity PI4KB, PIK3CA, AKT2 AKT1 5/4885ROCK1 478/4885RPS6KA1 127/4885
US-20100056523-A1 INHIBITORS OF AKT ACTIVITY PI4KB, PIK3CA, AKT2 AKT1 5/4885ROCK1 478/4885RPS6KA1 127/4885
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 254/4885ROCK1 434/4885RPS6KA1 216/4885
US-20080255143-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 AKT1 5/4885ROCK1 478/4885RPS6KA1 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.

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