Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1024882

O=C(O)C(F)(F)F.O=C(O)CC1CCN(c2cccc(Cl)n2)CC1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.51
HTR3B O95264 3/20 0.51
HTR3A P46098 3/20 0.51
HTR3D Q70Z44 3/20 0.51
HTR3C Q8WXA8 3/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD11B1 P28845 1/20 0.46
FFAR4 Q5NUL3 12/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.44
RORC P51449 1/20 0.43
TTR P02766 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
SCHEMBL13622625 0.93 HTR3E (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
Trifluoroacetic Acid SCHEMBL1025547 0.87 FFAR1 (0.50) HSD11B1FFAR4
SCHEMBL1024883 0.83 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
Trifluoroacetic Acid SCHEMBL1024329 0.81 ALDH1A1 (0.55) FFAR4ALDH1A1
SCHEMBL13622627 0.80 HSD11B1 (0.51) HSD11B1FFAR4
Trifluoroacetic Acid SCHEMBL28673132 0.79 HTR3E (0.73) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL25959049 0.78 HSD11B1 (0.52) HSD11B1FFAR4
Trifluoroacetic Acid SCHEMBL1026901 0.78 FFAR4 (0.51) FFAR4
Trifluoroacetic Acid SCHEMBL1024921 0.77 FFAR4 (0.56) FFAR4
SCHEMBL23582347 0.76 HTR3E (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C

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 HTR3E 4745/4885HTR3B 4275/4885HTR3A 4542/4885

“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.