Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6072044

Nc1cccc(C(F)(F)F)c1.O=C(O)C(F)(F)F

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.74
MAPK1 P28482 1/20 0.74
PTGS1 P23219 7/20 0.55
CES2 O00748 1/20 0.52
SRD5A2 P31213 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.45
GRM2 Q14416 1/20 0.44
GRM3 Q14832 1/20 0.44
RORC P51449 1/20 0.44
RORB Q92753 1/20 0.44
TLR7 Q9NYK1 1/20 0.43

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
SCHEMBL29410732 0.86 TSHR (1.00) TSHRMAPK1PTGS1CES2MAPT
SCHEMBL39591 0.86 TSHR (1.00) TSHRMAPK1PTGS1CES2MAPT
Fluoroacetate SCHEMBL28251890 0.86 TSHR (0.69) TSHRMAPK1PTGS1CES2SRD5A2
Thioglycolic Acid SCHEMBL9661898 0.84 TSHR (0.67) TSHRMAPK1PTGS1CES2SRD5A2
Benzoic Acid SCHEMBL28155298 0.84 TSHR (0.67) TSHRMAPK1PTGS1CES2SRD5A2
Hydrochloric Acid SCHEMBL4372377 0.84 TSHR (0.95) TSHRMAPK1PTGS1CES2MAPT
Iodide SCHEMBL31305312 0.84 TSHR (0.95) TSHRMAPK1PTGS1CES2MAPT
Hydrochloric Acid SCHEMBL2790297 0.84 TSHR (0.95) TSHRMAPK1PTGS1CES2MAPT
Hydrochloric Acid SCHEMBL30953679 0.84 TSHR (0.95) TSHRMAPK1PTGS1CES2MAPT
Water SCHEMBL7109306 0.84 TSHR (0.95) TSHRMAPK1PTGS1CES2MAPT

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-20060241149-A1 Chemical compounds ADAMS JERRY L 2006-10-26 US disclosed
EP-1581514-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-10-05 EP disclosed
WO-2004043379-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-05-27 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-20060241149-A1 Chemical compounds CHKB, MAP3K20, MAP3K6 TSHR 3952/4885MAPK1 459/4885PTGS1 1192/4885

“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.