Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4356394

CC1(C)Cc2cccc(NC(=O)N3CCC(CCOc4ccc5cc4CCc4cncc(c4)Nc4ncc(Cl)c(n4)N5)CC3)c2O1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 7/20 0.47
HTR1A P08908 2/20 0.34
DRD2 P14416 1/20 0.34
ADRA1A P35348 1/20 0.34
JAK2 O60674 2/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 2/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
THRB P10828 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
NAMPT P43490 1/20 0.30

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
SCHEMBL1073039 0.97 ALK (0.49) ALKHTR1ADRD2ADRA1AJAK2
Trifluoroacetic Acid SCHEMBL4361735 0.88 ALK (0.48) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4357284 0.87 ALK (0.50) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4357043 0.86 ALK (0.45) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4359073 0.86 ALK (0.46) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4360172 0.85 ALK (0.49) ALKJAK2JAK1TYK2JAK3
SCHEMBL4365610 0.85 ALK (0.51) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4355840 0.84 ALK (0.48) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4364659 0.84 ALK (0.47) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL1075948 0.84 ALK (0.52) ALKJAK2JAK1TYK2JAK3

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 3/4885HTR1A 4624/4885DRD2 4537/4885

“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.