Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2990243

O=C(O)C(F)(F)F.O=S1(=O)CCC(NS(=O)(=O)c2ccc(-c3ccnc4[nH]c(C(F)(F)F)cc34)nc2)CC1

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 17/20 0.69
CHUK O15111 17/20 0.69
CSNK1D P48730 1/20 0.38
MAPK14 Q16539 1/20 0.38
BRAF P15056 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
CYP2C9 P11712 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
SCHEMBL2986595 0.95 IKBKB (0.75) IKBKBCHUKCSNK1DMAPK14CYP2C9
SCHEMBL2993450 0.90 IKBKB (0.68) IKBKBCHUKCSNK1DMAPK14
SCHEMBL2986596 0.89 IKBKB (0.64) IKBKBCHUKCSNK1DMAPK14BRAF
SCHEMBL2982305 0.86 IKBKB (0.81) IKBKBCHUK
SCHEMBL2993449 0.86 IKBKB (0.59) IKBKBCHUKCSNK1DMAPK14CYP2C9
SCHEMBL2990350 0.84 IKBKB (0.59) IKBKBCHUKCSNK1DMAPK14
SCHEMBL2994240 0.84 IKBKB (0.58) IKBKBCHUKCSNK1DMAPK14CYP2C9
SCHEMBL3413884 0.83 IKBKB (0.82) IKBKBCHUKCYP2C9
Trifluoroacetic Acid SCHEMBL3413869 0.83 IKBKB (0.87) IKBKBCHUKSLC22A12
Formic Acid SCHEMBL2981787 0.82 IKBKB (0.54) IKBKBCHUKCSNK1DMAPK14BRAF

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 IKBKB 11/4885CHUK 22/4885CSNK1D 124/4885

“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.