Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4359193

O=C(C[C@@H]1CCN(c2nc3ccccc3s2)C1)Nc1ccc2cc1CCc1cncc(c1)Nc1ncc(Cl)c(n1)N2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 6/20 0.38
TP53 P04637 3/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 2/20 0.32
LCAT P04180 1/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31

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 SCHEMBL4359141 1.00 ALK (0.38) ALKTP53JAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4356872 0.97 ALK (0.37) ALKTP53JAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4361867 0.97 ALK (0.37) ALKTP53JAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4358919 0.96 ALK (0.39) ALKTP53JAK2JAK1TYK2
SCHEMBL1074043 0.96 ALK (0.41) ALKTP53JAK2JAK1TYK2
SCHEMBL1076000 0.96 ALK (0.41) ALKTP53JAK2JAK1TYK2
Trifluoroacetic Acid SCHEMBL4362705 0.95 ALK (0.38) ALKTP53JAK2JAK1TYK2
SCHEMBL4357833 0.92 ALK (0.40) ALKTP53JAK2JAK1TYK2
SCHEMBL4361389 0.92 ALK (0.40) ALKTP53JAK2JAK1TYK2
SCHEMBL4361694 0.92 ALK (0.42) ALKTP53JAK2JAK1TYK2

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 3/4885TP53 805/4885JAK2 1/4885

“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.