Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3176290

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

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRB2 P62993 1/20 0.36
GABRR1 P24046 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
PTPN1 P18031 1/20 0.33
LMNA P02545 1/20 0.33
GRM8 O00222 1/20 0.32
GRM6 O15303 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GSR P00390 1/20 0.32
CYP1A2 P05177 1/20 0.32
GRIK1 P39086 1/20 0.32
GRM5 P41594 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
GRIA4 P48058 1/20 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
Trifluoroacetic Acid SCHEMBL29981273 1.00 GRB2 (0.36) GRB2GABRR1SLC22A6PTPN1LMNA
Trifluoroacetic Acid SCHEMBL3176944 0.87 GRB2 (0.36) GRB2PTPN1NOS3NOS1NOS2
Trifluoroacetic Acid SCHEMBL28216351 0.87 GRB2 (0.36) GRB2PTPN1NOS3NOS1NOS2
SCHEMBL333107 0.86
SCHEMBL1072994 0.86
SCHEMBL6442112 0.86
Aspartic Acid SCHEMBL5195305 0.84 GRIK1 (0.45) GRB2PTPN1GRM8GRM6GRIN2D
Aspartic Acid SCHEMBL5195309 0.84 GRIK1 (0.45) GRB2PTPN1GRM8GRM6GRIN2D
Hydrochloric Acid SCHEMBL28036339 0.84 SLC22A6 (0.41) GABRR1SLC22A6LMNAGRM8GRM6
Trifluoroacetic Acid SCHEMBL20164118 0.82 ALOX15 (0.38) GRB2PTPN1GRM8GRM6GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645792-B2 Prodrugs of propofol, compositions and uses thereof XENOPORT, INC. (US) 2010-01-12 US disclosed
US-7241807-B2 Prodrugs of propofol, compositions and uses thereof XENOPORT, INC. (US) 2007-07-10 US disclosed
US-20060041011-A1 Prodrugs of propofol, compositions and uses thereof XENOPORT, INC. 2006-02-23 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-20060041011-A1 Prodrugs of propofol, compositions and uses thereof CYP2C19, CYP3A5, CYP3A4 GRB2 4848/4885GABRR1 1215/4885SLC22A6 538/4885

“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.