Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4713069

O=C(O)C(F)(F)F.O=C1NCCn2nc(-c3ccnc(-c4ccc(Cl)c(Cl)c4)c3)cc21

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.51
KMO O15229 5/20 0.44
TTR P02766 1/20 0.36
PIK3C3 Q8NEB9 2/20 0.35
TACR3 P29371 2/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
PPP1CA P62136 2/20 0.34
KDM2B Q8NHM5 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
MAPKAPK2 P49137 3/20 0.34
MEN1 O00255 1/20 0.34
CRHBP P24387 1/20 0.34
MC4R P32245 1/20 0.34
KMT2A Q03164 1/20 0.34
CRHR2 Q13324 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
SCHEMBL14188402 0.91 CDC7 (0.61) CDC7KMOPIK3C3TACR3MAPKAPK2
Trifluoroacetic Acid SCHEMBL4716136 0.87 CDC7 (0.52) CDC7KMOPIK3C3PSEN1PSEN2
Trifluoroacetic Acid SCHEMBL4997521 0.87 CDC7 (0.55) CDC7PIK3C3MAPKAPK2PIM1PIM2
Trifluoroacetic Acid SCHEMBL5000129 0.85 CDC7 (0.53) CDC7PIK3C3MAPKAPK2PIM1PIM2
Trifluoroacetic Acid SCHEMBL4999615 0.85 CDC7 (0.55) CDC7PIK3C3MAPKAPK2PIM1PIM2
Trifluoroacetic Acid SCHEMBL4790707 0.85 CDC7 (0.52) CDC7PIK3C3MAPKAPK2
Trifluoroacetic Acid SCHEMBL4715188 0.85 CDC7 (0.52) CDC7KDM2BKDM4C
Trifluoroacetic Acid SCHEMBL4996147 0.85 CDC7 (0.52) CDC7PIK3C3KDM4CMAPKAPK2PIM1
Trifluoroacetic Acid SCHEMBL4996962 0.83 CDC7 (0.47) CDC7KMOPIK3C3MAPKAPK2PIM1
Trifluoroacetic Acid SCHEMBL4712543 0.82 CDC7 (0.48) CDC7PIK3C3MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS HANAU CATHLEEN E 2008-05-15 US disclosed
EP-1572682-A4 ACYCLIC PYRAZOLE COMPOUNDS PHARMACIA CORP (US) 2008-01-23 EP disclosed
EP-1572682-A2 ACYCLIC PYRAZOLE COMPOUNDS Pharmacia Corporation (US) 2005-09-14 EP disclosed
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-08-05 US disclosed
WO-2004058176-A2 ACYCLIC PYRAZOLE COMPOUNDS PHARMACIA CORPORATION (US) 2004-07-15 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 (2 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-20080113971-A1 PYRAZOLE COMPOUNDS AS PROTEIN KINASE INHIBITORS MKNK2, MAPKAPK2, MAP3K2 CDC7 487/4885KMO 444/4885TTR 4246/4885
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MAPKAPK2, MAP3K2, MAP4K2 CDC7 331/4885KMO 445/4885TTR 4668/4885

“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.