Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4358593

CCS(=O)(=O)N1CCC(CC(=O)Nc2ccc3cc2CCc2cncc(c2)Nc2ncc(Cl)c(n2)N3)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 8/20 0.41
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
CDK14 O94921 1/20 0.33
CCNY Q8ND76 1/20 0.33
KCNT1 Q5JUK3 1/20 0.33
RORC P51449 3/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
AGTR1 P30556 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
PAX8 Q06710 1/20 0.32
TLR9 Q9NR96 1/20 0.32
PTK2 Q05397 1/20 0.32
PTK2B Q14289 1/20 0.32

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
SCHEMBL1075290 0.95 ALK (0.44) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4361583 0.95 ALK (0.41) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4363125 0.94 JAK2 (0.40) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4357904 0.93 ALK (0.49) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4356699 0.93 ALK (0.40) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4368986 0.93 ALK (0.39) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4359427 0.93 ALK (0.40) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4354590 0.92 ALK (0.40) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4368491 0.92 ALK (0.40) ALKJAK2JAK1TYK2JAK3
Trifluoroacetic Acid SCHEMBL4356257 0.92 ALK (0.40) 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 3/4885JAK2 1/4885JAK1 2/4885

“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.