Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4356008

N#Cc1ccccc1S(=O)(=O)N1CCC(CC(=O)Nc2ccc3cc2CCc2cccc(c2)Nc2ncc(Cl)c(n2)N3)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 10/20 0.45
GPR6 P46095 4/20 0.38
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 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
ATM Q13315 1/20 0.33
JAK2 O60674 4/20 0.32
JAK1 P23458 4/20 0.32
TYK2 P29597 4/20 0.32
JAK3 P52333 4/20 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
SCHEMBL13622657 0.96 ALK (0.48) ALKHTR2AHTR2CSTK4STK3
Trifluoroacetic Acid SCHEMBL4369601 0.95 ALK (0.38) ALKGPR6HTR2AHTR2CATM
SCHEMBL4367864 0.90 ALK (0.41) ALKGPR6HTR2AHTR2CATM
Trifluoroacetic Acid SCHEMBL1076445 0.90 ALK (0.47) ALKSTK4STK3STK26STK24
Trifluoroacetic Acid SCHEMBL4361228 0.90 ALK (0.45) ALKGPR6STK4STK3STK26
Trifluoroacetic Acid SCHEMBL1072057 0.90 ALK (0.48) ALKSTK4STK3STK26STK24
Trifluoroacetic Acid SCHEMBL4357904 0.89 ALK (0.49) ALKSTK4STK3STK26STK24
Trifluoroacetic Acid SCHEMBL4361818 0.87 ALK (0.47) ALKSTK4STK3STK26STK24
Trifluoroacetic Acid SCHEMBL4364704 0.87 ALK (0.47) ALKSTK4STK3STK26STK24
Trifluoroacetic Acid SCHEMBL4356720 0.87 ALK (0.39) ALKHTR2AHTR2CJAK2JAK1

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 4 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 claimed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US claimed
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 3/4885GPR6 2491/4885HTR2A 4730/4885

“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.