Fluoroacetate

Fluoroacetate

SCHEMBL6357897

C1C2CC3CC1CC(C2)n1c3nnc1C12CC3CC(CC(C3)C1)C2.O=C(O)CF

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.35
MAPK1 P28482 1/20 0.32
HSD17B1 P14061 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31

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 SCHEMBL5104947 0.88 HSD11B1 (0.38) HSD11B1MAPK1HSD17B1GAARAB9A
SCHEMBL14277239 0.87 HSD11B1 (0.40) HSD11B1HSD17B1MEN1ALDH1A1KMT2A
SCHEMBL5104767 0.72 HSD11B1 (0.46) HSD11B1HSD17B1MEN1KMT2AGAA
SCHEMBL2667916 0.70 HSD11B1 (0.41) HSD11B1HSD17B1GAARAB9A
SCHEMBL5098423 0.70 HSD11B1 (0.40) HSD11B1HSD17B1GAARAB9A
SCHEMBL5104628 0.70 HSD11B1 (0.41) HSD11B1HSD17B1GAARAB9A
SCHEMBL2383169 0.66 HSD11B1 (0.45) HSD11B1
SCHEMBL5098048 0.63 HSD11B1 (0.38) HSD11B1HSD17B1MEN1KMT2AGAA
SCHEMBL14277223 0.63 HSD11B1 (0.38) HSD11B1HSD17B1MEN1KMT2AGAA
SCHEMBL14277222 0.63 HSD11B1 (0.41) HSD11B1HSD17B1MEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050070720-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK SHARP & DOHME CORP. 2005-03-31 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-20050070720-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885MAPK1 358/4885HSD17B1 2/4885

“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.