Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5822014

CC1=C(C(=O)OCCc2cccc(Cl)c2)C(COC(=O)NCCN(C)C)NC(=S)N1.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 2/20 0.34
ALOX12 P18054 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DHFR P00374 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MAOB P27338 1/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1D Q01668 1/20 0.33
CACNA1S Q13698 1/20 0.33

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
SCHEMBL5911371 0.82 BRD4 (0.33) ALDH1A1MAPTTRPV1MEN1LMNA
SCHEMBL5911496 0.81 ALDH1A1 (0.39) ALDH1A1MAPTALOX12MEN1LMNA
SCHEMBL5767392 0.80 CA1 (0.42) CACNA1BALDH1A1MAPTALOX12MEN1
SCHEMBL5764699 0.78 CACNA1F (0.43) ALDH1A1MAPTALOX12MEN1LMNA
SCHEMBL5794068 0.78 ALDH1A1 (0.42) CACNA1BALDH1A1MAPTALOX12MEN1
SCHEMBL5765288 0.78 ALDH1A1 (0.44) CACNA1BALDH1A1MAPTALOX12MEN1
SCHEMBL5793380 0.77 ALDH1A1 (0.44) CACNA1BALDH1A1MAPTALOX12LMNA
SCHEMBL5766350 0.76 ALDH1A1 (0.38) CACNA1BALDH1A1MAPTALOX12MEN1
SCHEMBL5793568 0.74 ALDH1A1 (0.38) CACNA1BALDH1A1MAPTALOX12MEN1
SCHEMBL5911571 0.73 MEN1 (0.45) ALDH1A1MAPTMEN1LMNAKMT2A

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-20060116390-A1 Hepatitis c virus inhibitors LG LIFE SCIENCES LTD. (KR) 2006-06-01 US disclosed
EP-1633725-A1 HEPATITIS C VIRUS INHIBITORS LG Life Sciences Ltd. (KR) 2006-03-15 EP disclosed
WO-2004111013-A1 HEPATITIS C VIRUS INHIBITORS LG LIFE SCIENCES LTD. (KR) 2004-12-23 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-20060116390-A1 Hepatitis c virus inhibitors HAVCR2, LIPC, FABP1 CACNA1B 4849/4885ALDH1A1 1058/4885MAPT 3737/4885

“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.