Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4718586

NCCn1nc(-c2ccncc2)cc1C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.52
MARS1 P56192 3/20 0.46
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
GPR142 Q7Z601 2/20 0.36
ASIC1 P78348 2/20 0.36
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
MAPT P10636 1/20 0.35
PTPN1 P18031 1/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 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
SCHEMBL4790569 0.92 MAPKAPK2 (0.57) MAPKAPK2MARS1JAK2JAK1TYK2
SCHEMBL5000205 0.85 MAPKAPK2 (0.50) MAPKAPK2MARS1MAPTHDAC1HDAC3
SCHEMBL4718583 0.82 MAPKAPK2 (0.40) MAPKAPK2MARS1JAK2JAK1TYK2
SCHEMBL29120797 0.82 MARS1 (0.53) MAPKAPK2MARS1GRNSORT1MAPT
Trifluoroacetic Acid SCHEMBL4791161 0.81 MAPKAPK2 (0.56) MAPKAPK2L3MBTL1ASIC1MAPTHDAC1
Trifluoroacetic Acid SCHEMBL4717073 0.81 MAPKAPK2 (0.56) MAPKAPK2HDAC1
Trifluoroacetic Acid SCHEMBL4714469 0.81 MAPKAPK2 (0.58) MAPKAPK2MARS1ASIC1MAPTPTPN1
Trifluoroacetic Acid SCHEMBL4991464 0.79 MAPKAPK2 (0.54) MAPKAPK2MARS1JAK2JAK3L3MBTL1
Trifluoroacetic Acid SCHEMBL4718572 0.79 MAPKAPK2 (0.54) MAPKAPK2MARS1JAK2JAK3L3MBTL1
Trifluoroacetic Acid SCHEMBL4714055 0.78 MAPKAPK2 (0.57) MAPKAPK2MAPTHDAC1

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 6 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
CN-1747949-A Acyclic pyrazole compounds PHARMACIA CORP (US) 2006-03-15 CN 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 MAPKAPK2 2/4885MARS1 2800/4885JAK2 261/4885
US-20040152739-A1 Acyclic pyrazole compounds for the inhibition of mitogen activated protein kinase-activated protein kinase-2 MAPKAPK2, MAP3K2, MAP4K2 MAPKAPK2 1/4885MARS1 3275/4885JAK2 333/4885

“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.