Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1022982

COc1cccc(N2CCC(CC(=O)O)CC2)c1C#N.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 12/20 0.48
FFAR1 O14842 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GRM2 Q14416 1/20 0.43
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
GAA P10253 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
KHK P50053 1/20 0.41

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
SCHEMBL13622683 0.94 GRM2 (0.47) FFAR4GRM2ADRA1DADRA1AADRA1B
Trifluoroacetic Acid SCHEMBL1026535 0.86 FFAR4 (0.52) FFAR4FFAR1KDM4EGAAKHK
SCHEMBL1022983 0.86 GRM2 (0.44) FFAR4KDM4EALDH1A1GRM2ADRA1D
Trifluoroacetic Acid SCHEMBL1024487 0.85 KDM4E (0.56) FFAR4FFAR1KDM4EALDH1A1GRM2
Trifluoroacetic Acid SCHEMBL1025399 0.84 GAA (0.60) FFAR4FFAR1KDM4EALDH1A1GRM2
Trifluoroacetic Acid SCHEMBL4359200 0.84 FFAR4 (0.47) FFAR4FFAR1KDM4EGRM2GAA
SCHEMBL13622678 0.81 KHK (0.48) FFAR4FFAR1KDM4EGRM2GAA
Trifluoroacetic Acid SCHEMBL1024810 0.80 FFAR4 (0.55) FFAR4FFAR1DRD2
SCHEMBL13622686 0.79 KDM4E (0.62) FFAR4KDM4EALDH1A1GRM2GAA
SCHEMBL13622681 0.79 FFAR4 (0.54) FFAR4KDM4EGRM2GAAKHK

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 disclosed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
US-20090286778-A1 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-11-19 US disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 WO 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 FFAR4 2075/4885FFAR1 1611/4885KDM4E 248/4885

“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.