Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2226183

N#CCCC1CCC(N)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
F2 P00734 3/20 0.31
PRSS1 P07477 2/20 0.31
DPP4 P27487 2/20 0.31
DPP8 Q6V1X1 2/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL15656206 1.00 HSD11B1 (0.39) HSD11B1F2PRSS1DPP4DPP8
Trifluoroacetic Acid SCHEMBL3899532 0.92 HSD11B1 (0.37) HSD11B1DPP4DPP8KMT2A
Trifluoroacetic Acid SCHEMBL20956254 0.92 HSD11B1 (0.37) HSD11B1DPP4DPP8KMT2A
Trifluoroacetic Acid SCHEMBL28525241 0.85 HSD11B1 (0.38) HSD11B1F2PRSS1DPP4DPP8
Trifluoroacetic Acid SCHEMBL15654913 0.85 HSD11B1 (0.38) HSD11B1F2PRSS1DPP4DPP8
SCHEMBL15655890 0.84 JAK2 (0.33) HSD11B1
SCHEMBL15655893 0.84 JAK2 (0.33) HSD11B1
Trifluoroacetic Acid SCHEMBL6475932 0.80 GABRA5 (0.37) HSD11B1
Trifluoroacetic Acid SCHEMBL3900775 0.79 HSD11B1 (0.34) HSD11B1DPP4DPP8CTSSCTSK
Trifluoroacetic Acid SCHEMBL14737756 0.79 HSD11B1 (0.34) HSD11B1DPP4DPP8CTSSCTSK

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
WO-2013007768-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF AS JAK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 WO disclosed
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP disclosed
CN-102712640-A Tricyclic heterocyclic compounds, compositions and methods of use thereof HOFFMANN LA ROCHE 2012-10-03 CN disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 HSD11B1 291/4885F2 143/4885PRSS1 2342/4885

“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.