Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1370179

C[C@H](N)C(C)(C)CO.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 6/20 0.34
DPP4 P27487 4/20 0.34
DPP7 Q9UHL4 3/20 0.34
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
GRB2 P62993 1/20 0.32
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31
GABRA4 P48169 2/20 0.31
GABRE P78334 2/20 0.31
GABRA6 Q16445 2/20 0.31
GABRG1 Q8N1C3 2/20 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
Oxalic Acid SCHEMBL31222733 0.85 GABRP (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1371912 0.82
SCHEMBL12146174 0.82
Trifluoroacetic Acid SCHEMBL1980571 0.80 SLC7A5 (0.42) DPP8DPP4DPP7NOS1NOS2
Trifluoroacetic Acid SCHEMBL7601287 0.80 ALDH1A1 (0.37) DPP8DPP4DPP7NOS1NOS2
Trifluoroacetic Acid SCHEMBL14737598 0.80 ALDH1A1 (0.37) DPP8DPP4DPP7NOS1NOS2
Trifluoroacetic Acid SCHEMBL3416090 0.77 SLC7A5 (0.41) DPP8DPP4DPP7GRB2GABRP
Trifluoroacetic Acid SCHEMBL1833665 0.74 TP53 (0.40) DPP8DPP4DPP7GRB2GABRP
Trifluoroacetic Acid SCHEMBL1370109 0.73 DPP8 (0.36) DPP8DPP4DPP7NOS1NOS2
Trifluoroacetic Acid SCHEMBL3555663 0.73 DPP8 (0.44) DPP8DPP4DPP7GRB2GABRP

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-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US disclosed
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 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 (2 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-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 DPP8 3414/4885DPP4 2319/4885DPP7 2027/4885
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 DPP8 3414/4885DPP4 2319/4885DPP7 2027/4885

“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.