Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4930138

Cc1nc(C(=O)N2CC[C@@H](N(C)C)C2)cc2c(Nc3cccc4c3CCO4)c(C(N)=O)cnc12.O=C(O)C(F)(F)F

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.45
ATR Q13535 6/20 0.35
MAP4K4 O95819 1/20 0.35
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 3/20 0.32
CDK4 P11802 1/20 0.32
CDK2 P24941 1/20 0.32
CDK6 Q00534 1/20 0.32
CDK5 Q00535 1/20 0.32
EGFR P00533 2/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
BRD4 O60885 2/20 0.31
BRD2 P25440 2/20 0.31
BRD3 Q15059 2/20 0.31

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
Trifluoroacetic Acid SCHEMBL4920764 0.88 PDE4B (0.49) PDE4BCYP3A4CYP2C9
Trifluoroacetic Acid SCHEMBL4920920 0.87 PDE4B (0.45) PDE4BMAP4K4PDE4APDE4CPDE4D
Trifluoroacetic Acid SCHEMBL4929251 0.85 PDE4B (0.48) PDE4BCYP3A4CYP2C9BRD4BRD2
Trifluoroacetic Acid SCHEMBL4925209 0.84 PDE4B (0.46) PDE4BCYP3A4CYP2C9BRD4BRD2
SCHEMBL4928787 0.84 PDE4B (0.55) PDE4BCYP3A4CYP2C9BRD4BRD2
SCHEMBL4928653 0.83 PDE4B (0.54) PDE4BCYP3A4CYP2C9BRD4BRD2
SCHEMBL4928496 0.83 PDE4B (0.54) PDE4BCYP3A4CYP2C9
Trifluoroacetic Acid SCHEMBL4929976 0.83 PDE4B (0.51) PDE4BCYP3A4CYP2C9BRD4BRD2
Trifluoroacetic Acid SCHEMBL4929908 0.82 PDE4B (0.42) PDE4BCYP3A4CYP2C9TYK2JAK3
SCHEMBL4930190 0.82 PDE4B (0.52) PDE4BCYP3A4CYP2C9BRD4BRD2

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-20080146563-A1 1,7-Naphthyridines as Pde4 Inhibitors GLAXO GROUP LIMITED 2008-06-19 US claimed
US-20080146563-A1 1,7-Naphthyridines as Pde4 Inhibitors GLAXO GROUP LIMITED 2008-06-19 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-20080146563-A1 1,7-Naphthyridines as Pde4 Inhibitors PDE4A, PDE3B, PDE4B PDE4B 3/4885ATR 3788/4885MAP4K4 220/4885

“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.