Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5801588

Nc1ccccc1C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
CES1 P23141 2/20 0.42
NFKB1 P19838 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
RBP4 P02753 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
PPARG P37231 1/20 0.41
PTGS1 P23219 3/20 0.40
CHIT1 Q13231 1/20 0.40
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAOB P27338 1/20 0.39
POLB P06746 1/20 0.39
ATR Q13535 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL70554 0.85 ALDH1A1 (0.48) GAAALDH1A1FFAR4POLB
SCHEMBL8994564 0.85 ALDH1A1 (0.48) GAAALDH1A1FFAR4POLB
SCHEMBL29882203 0.85 ALDH1A1 (0.48) GAAALDH1A1FFAR4POLB
Hydrochloric Acid SCHEMBL4371044 0.83 TDP1 (0.52) ALDH1A1FFAR4POLB
Water SCHEMBL6244814 0.83 POLB (0.46) GAAALDH1A1FFAR4POLB
Hydrogen Sulfide SCHEMBL11147516 0.83 POLB (0.46) GAAALDH1A1FFAR4POLB
Ammonia Solution, Strong SCHEMBL8056717 0.83 POLB (0.46) GAAALDH1A1FFAR4POLB
Fluoride SCHEMBL7897532 0.83 POLB (0.46) GAAALDH1A1FFAR4POLB
Hydrochloric Acid SCHEMBL1768867 0.83 TDP1 (0.52) ALDH1A1FFAR4POLB
Aniline SCHEMBL22169163 0.81 TSHR (0.50) GAAALDH1A1FFAR4PTGS1HSD17B10

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-20060189628-A1 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. 2006-08-24 US disclosed
WO-2006071958-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-06 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-20060189628-A1 Compounds useful as chemokine receptor antagonists ACKR3, CCR5, CXCR2 GAA 3818/4885LMNA 4727/4885CES1 2491/4885

“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.