Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4359246

O=C(Nc1ccc2cc1CCc1cccc(c1)Nc1ncc(Cl)c(n1)N2)[C@@H]1CCN(C(=O)NC2CCCC2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.46
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 1/20 0.36
JAK2 O60674 6/20 0.35
JAK1 P23458 6/20 0.35
TYK2 P29597 6/20 0.35
JAK3 P52333 6/20 0.35
STK4 Q13043 1/20 0.34
STK3 Q13188 1/20 0.34
STK26 Q9P289 1/20 0.34
STK24 Q9Y6E0 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
Trifluoroacetic Acid SCHEMBL4361561 0.97 ALK (0.46) ALKALDH1A1JAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4361071 0.96 ALK (0.47) ALKALDH1A1USP2TDP1CYP3A4
SCHEMBL1076245 0.95 ALK (0.50) ALKALDH1A1USP2TDP1CYP3A4
SCHEMBL4363395 0.92 ALK (0.49) ALKALDH1A1USP2JAK2JAK1
SCHEMBL4357322 0.91 ALK (0.51) ALKALDH1A1USP2TDP1CYP3A4
Trifluoroacetic Acid SCHEMBL4358083 0.91 ALK (0.47) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL1076455 0.90 ALK (0.48) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4359097 0.90 ALK (0.51) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4361064 0.89 ALK (0.46) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4361043 0.89 ALK (0.48) ALKALDH1A1JAK2JAK1TYK2

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 2511/4885USP2 2291/4885

“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.