Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4352702

Cc1cc(C(=O)N2CCN(CC(=O)Nc3ccc4cc3CCc3cccc(c3)Nc3ncc(Cl)c(n3)N4)CC2)no1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 9/20 0.46
ALDH1A1 P00352 2/20 0.37
LYPLA1 O75608 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACHE P22303 1/20 0.35
STK4 Q13043 1/20 0.35
STK3 Q13188 1/20 0.35
STK26 Q9P289 1/20 0.35
STK24 Q9Y6E0 1/20 0.35
JAK2 O60674 4/20 0.34
JAK1 P23458 4/20 0.34
TYK2 P29597 4/20 0.34
JAK3 P52333 4/20 0.34
TSHR P16473 2/20 0.34
THRB P10828 1/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 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
SCHEMBL4361370 0.96 ALK (0.50) ALKALDH1A1STK4STK3STK26
Trifluoroacetic Acid SCHEMBL4354180 0.94 ALK (0.39) ALKALDH1A1LYPLA1SMN1; SMN2ACHE
Trifluoroacetic Acid SCHEMBL4358304 0.90 ALK (0.45) ALKSTK4STK3STK26STK24
Trifluoroacetic Acid SCHEMBL4365262 0.90 ALK (0.45) ALKJAK2JAK1TYK2JAK3
SCHEMBL4362001 0.89 ALK (0.42) ALKALDH1A1LYPLA1SMN1; SMN2JAK2
SCHEMBL13633108 0.89 JAK2 (0.42) ALKALDH1A1JAK2TSHRTHRB
Trifluoroacetic Acid SCHEMBL4363115 0.88 ALK (0.47) ALKSTK4STK3STK26STK24
Trifluoroacetic Acid SCHEMBL4365867 0.87 ALK (0.46) ALKSTK4STK3STK26STK24
Trifluoroacetic Acid SCHEMBL4361316 0.86 ALK (0.46) ALKSTK4STK3STK26STK24
SCHEMBL4359660 0.85 ALK (0.48) ALKSTK4STK3STK26STK24

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-8871753-B2 Macrocyclic compounds and their use as kinase inhibitors INCYTE CORPORATION (US) 2014-10-28 US disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 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-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS JAK2, JAK1, ALK ALK 3/4885ALDH1A1 2511/4885LYPLA1 2715/4885

“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.