Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4715188

O=C(O)C(F)(F)F.O=C1NCCn2nc(-c3ccnc(-c4ccc(OC(F)(F)F)cc4)c3)cc21

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.52
MAT2A P31153 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.40
KDM5A P29375 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
GCGR P47871 11/20 0.39
SCN9A Q15858 1/20 0.38
USP30 Q70CQ3 1/20 0.38
ABL1 P00519 2/20 0.36

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
SCHEMBL4714513 0.94 CDC7 (0.58) CDC7MAT2ASCN10AKDM5AKDM2B
Trifluoroacetic Acid SCHEMBL4790707 0.91 CDC7 (0.52) CDC7MAT2AABL1
SCHEMBL4716573 0.88 CDC7 (0.50) CDC7MAT2ASCN10AKDM5AKDM2B
Trifluoroacetic Acid SCHEMBL4997521 0.87 CDC7 (0.55) CDC7ABL1
Trifluoroacetic Acid SCHEMBL5000129 0.86 CDC7 (0.53) CDC7ABL1
Trifluoroacetic Acid SCHEMBL4716136 0.85 CDC7 (0.52) CDC7KDM5AKDM4CKDM5B
Trifluoroacetic Acid SCHEMBL4996147 0.85 CDC7 (0.52) CDC7KDM5AKDM4CKDM5BABL1
Trifluoroacetic Acid SCHEMBL4713069 0.85 CDC7 (0.51) CDC7KDM2BKDM4C
Trifluoroacetic Acid SCHEMBL4999615 0.83 CDC7 (0.55) CDC7ABL1
Trifluoroacetic Acid SCHEMBL4712543 0.83 CDC7 (0.48) CDC7ABL1

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 487/4885MAT2A 791/4885SCN10A 3130/4885
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MAPKAPK2, MAP3K2, MAP4K2 CDC7 331/4885MAT2A 708/4885SCN10A 3447/4885

“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.