Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3174530

C[C@@](N)(C(N)=O)c1ccc(O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.45
ESR1 P03372 7/20 0.41
ESR2 Q92731 7/20 0.41
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
TYR P14679 1/20 0.41
AR P10275 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR6 P50406 1/20 0.41
ESRRG P62508 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.39
KMT2A Q03164 1/20 0.39
KIF11 P52732 1/20 0.37
CYP1A2 P05177 1/20 0.36

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
SCHEMBL3167604 0.89 ESR1 (0.50) BLMESR1ESR2CYP3A4ALDH1A1
SCHEMBL5427934 0.81 BLM (0.53) BLMESR1ESR2CYP3A4ALDH1A1
SCHEMBL24208279 0.81 BLM (0.53) BLMESR1ESR2CYP3A4ALDH1A1
SCHEMBL23706076 0.81 BLM (0.53) BLMESR1ESR2CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL5376244 0.80 BLM (0.52) BLMESR1ESR2CYP3A4ALDH1A1
Hydroquinone SCHEMBL27638163 0.77 CA2 (0.50) BLMESR1ESR2CYP3A4ALDH1A1
SCHEMBL10885402 0.76 KCNN4 (0.61) ALDH1A1MAPTKMT2AKCNN4
SCHEMBL1706265 0.75 MAPT (0.65) ALDH1A1MAPTKMT2ACYP1A2CYP2D6
SCHEMBL1706268 0.75 MAPT (0.65) ALDH1A1MAPTKMT2ACYP1A2CYP2D6
SCHEMBL1706266 0.75 MAPT (0.65) ALDH1A1MAPTKMT2ACYP1A2CYP2D6

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 BLM 3716/4885ESR1 1378/4885ESR2 2833/4885

“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.