Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1351206

NCc1ccc(-c2nc3nc(-n4ccnc4)ncc3cc2-c2ccccc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.51
AKT2 P31751 16/20 0.51
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BRAF P15056 1/20 0.36

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
SCHEMBL1351692 0.92 AKT1 (0.56) AKT1AKT2CYP11B1CYP11B2MEN1
Trifluoroacetic Acid SCHEMBL1352465 0.82 AKT1 (0.50) AKT1AKT2
SCHEMBL1351207 0.82 AKT1 (0.44) AKT1AKT2CYP11B1CYP11B2MEN1
Trifluoroacetic Acid SCHEMBL1350248 0.81 AKT1 (0.48) AKT1AKT2
Trifluoroacetic Acid SCHEMBL1351970 0.81 FGFR1 (0.53) AKT1AKT2
Trifluoroacetic Acid SCHEMBL1352082 0.81 AKT1 (0.53) AKT1AKT2
Trifluoroacetic Acid SCHEMBL1352096 0.80 AKT1 (0.57) AKT1AKT2
Trifluoroacetic Acid SCHEMBL1351194 0.80 AKT1 (0.56) AKT1AKT2
Trifluoroacetic Acid SCHEMBL1351873 0.79 AKT1 (0.53) AKT1AKT2
Trifluoroacetic Acid SCHEMBL1351923 0.78 AKT1 (0.49) AKT1AKT2BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391623-A1 INHIBITORS OF AKT ACTIVITY Merck Sharp & Dohme Corp. (US) 2011-12-07 EP disclosed
US-20110288090-A1 Inhibitors of AKT Activity MERCK SHARP & DOHME CORP. 2011-11-24 US disclosed
WO-2010088177-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-08-05 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 (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-20110288090-A1 Inhibitors of AKT Activity PIK3CD, PIK3CA, PIK3CG AKT1 9/4885AKT2 5/4885CYP11B1 3592/4885

“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.