Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3609151

N#Cc1cc(-c2ccnc(-c3cc4ccccc4o3)c2)[nH]c1N1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.41
IRAK4 Q9NWZ3 4/20 0.39
EIF4E P06730 2/20 0.36
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
CDC7 O00311 2/20 0.35
PIM1 P11309 1/20 0.35
CDK9 P50750 1/20 0.35
PRKD1 Q15139 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
RAD52 P43351 1/20 0.34
UBE2N P61088 1/20 0.34

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
SCHEMBL13408085 0.92 CDC7 (0.41) EIF4EMKNK1MKNK2CDC7PIM1
Trifluoroacetic Acid SCHEMBL3621523 0.83 MAPKAPK2 (0.47) BACE1IRAK4MKNK1MKNK2CDC7
SCHEMBL13442759 0.83 MAPKAPK2 (0.38) EIF4EMKNK1MKNK2KDM5AKDM4C
SCHEMBL3615206 0.81 GPR119 (0.42) BACE1
Trifluoroacetic Acid SCHEMBL3616676 0.81 MAPKAPK2 (0.39) IRAK4CDC7PIM1CDK9PRKD1
Trifluoroacetic Acid SCHEMBL3618304 0.80 PRKD1 (0.39) IRAK4CDC7PIM1CDK9PRKD1
Trifluoroacetic Acid SCHEMBL3610007 0.80 PIM1 (0.37) IRAK4CDC7PIM1CDK9MAPKAPK2
Trifluoroacetic Acid SCHEMBL3615875 0.79 ATR (0.35) IRAK4CDC7PIM1CDK9PRKD1
Trifluoroacetic Acid SCHEMBL3619396 0.79 IRAK4 (0.38) IRAK4CDC7PIM1CDK9PRKD1
SCHEMBL3609154 0.79 MKNK1 (0.38) BACE1IRAK4EIF4EMKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US claimed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 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-20100105664-A1 ORGANIC COMPOUNDS SLCO1B3, SLCO1B1, SLC10A6 BACE1 680/4885IRAK4 3656/4885EIF4E 483/4885

“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.