Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2991653

Cc1cc2c(-c3ccc(S(=O)(=O)N[C@H](C)CO)s3)ccnc2[nH]1.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.58
IKBKB O14920 13/20 0.51
CHUK O15111 13/20 0.51
ROCK1 Q13464 1/20 0.40
CIT O14578 3/20 0.40
AURKB Q96GD4 1/20 0.40
AURKAIP1 Q9NWT8 1/20 0.40
AAK1 Q2M2I8 2/20 0.37
HIPK4 Q8NE63 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
BMP2K Q9NSY1 1/20 0.37
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
KIT P10721 1/20 0.35

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
SCHEMBL2978136 0.93 MAP3K5 (0.66) MAP3K5IKBKBCHUKROCK1CIT
SCHEMBL2991656 0.86 MAP3K5 (0.56) MAP3K5IKBKBCHUKROCK1CIT
Trifluoroacetic Acid SCHEMBL2982128 0.86 MAP3K5 (0.62) MAP3K5IKBKBCHUKROCK1CIT
Trifluoroacetic Acid SCHEMBL2996351 0.86 MAP3K5 (0.62) MAP3K5IKBKBCHUKROCK1CIT
SCHEMBL2977619 0.85 IKBKB (0.70) MAP3K5IKBKBCHUKCITALOX5AP
SCHEMBL2989480 0.85 IKBKB (0.70) MAP3K5IKBKBCHUKCITALOX5AP
Trifluoroacetic Acid SCHEMBL2984110 0.85 MAP3K5 (0.58) MAP3K5IKBKBCHUKROCK1CIT
Trifluoroacetic Acid SCHEMBL2986293 0.83 MAP3K5 (0.64) MAP3K5IKBKBCHUKROCK1CIT
Trifluoroacetic Acid SCHEMBL3633505 0.81 MAP3K5 (0.59) MAP3K5IKBKBCHUKROCK1CIT
Trifluoroacetic Acid SCHEMBL2989883 0.80 MAP3K5 (0.64) MAP3K5IKBKBCHUKROCK1CIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 US 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-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS NFKBIA, PACSIN2, MAP3K2 MAP3K5 7/4885IKBKB 11/4885CHUK 22/4885

“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.