Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4361963

COc1cccc(S(=O)(=O)N2CCC(CC(=O)Nc3ccc4cc3CCc3cncc(c3)Nc3ncc(Cl)c(n3)N4)CC2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 6/20 0.39
CDK14 O94921 8/20 0.36
CCNY Q8ND76 8/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 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
RORC P51449 1/20 0.34
CHRM5 P08912 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
SCHEMBL4363845 0.96 ALK (0.42) ALKALDH1A1POLBCYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4361782 0.95 ALK (0.45) ALKCDK14CCNYALDH1A1POLB
Trifluoroacetic Acid SCHEMBL4356274 0.94 SMN1; SMN2 (0.43) ALKALDH1A1POLBCYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4359427 0.92 ALK (0.40) ALKCDK14CCNYALDH1A1NPSR1
SCHEMBL13622663 0.91 ALK (0.48) ALKALDH1A1POLBCYP3A4CYP2D6
SCHEMBL13634059 0.90 ALK (0.36) ALKALDH1A1POLBSMN1; SMN2L3MBTL1
Trifluoroacetic Acid SCHEMBL4360852 0.90 ALK (0.45) ALKALDH1A1POLBCYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4361804 0.90 HTT (0.40) ALKCDK14CCNYALDH1A1POLB
Trifluoroacetic Acid SCHEMBL4358794 0.90 ALK (0.39) ALKCDK14CCNYPOLBL3MBTL1
SCHEMBL4356608 0.89 SMN1; SMN2 (0.41) ALKALDH1A1POLBCYP3A4CYP2D6

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 3/4885CDK14 374/4885CCNY 1313/4885

“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.