SCHEMBL20847649

SCHEMBL20847649

O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N(Cc1cnccc1C(F)(F)F)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.46
HDAC8 Q9BY41 8/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC3 O15379 1/20 0.46
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GPBAR1 Q8TDU6 2/20 0.34
RORC P51449 2/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
CYP17A1 P05093 1/20 0.32

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
SCHEMBL20847617 0.92 HDAC6 (0.40) HDAC6HDAC8HDAC11HDAC3SLC6A2
SCHEMBL20847564 0.79 HDAC6 (0.62) HDAC6HDAC8HDAC11HDAC3
SCHEMBL20847648 0.77 HDAC6 (0.46) HDAC6HDAC8HDAC11HDAC3SLC6A2
SCHEMBL23783555 0.76 KEAP1 (0.48) HDAC6HDAC8HDAC11GPBAR1MAPT
SCHEMBL20847646 0.74 GAA (0.36) SLC6A2SLC6A4GAAMAPT
SCHEMBL20847759 0.74 HDAC6 (0.52) HDAC6HDAC8HDAC11HDAC3SLC6A2
SCHEMBL20839235 0.73 HDAC6 (0.67) HDAC6HDAC8HDAC11HDAC3
SCHEMBL20847595 0.72 HDAC6 (0.48) HDAC6HDAC8HDAC11HDAC3MAPT
SCHEMBL20847470 0.72 HDAC6 (0.50) HDAC6HDAC8HDAC11HDAC3SLC6A2
SCHEMBL23792675 0.72 GPBAR1 (0.46) HDAC6GPBAR1

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-20200277268-A1 PENTAFLUOROPHENYL SULFONAMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF DALRIADA THERAPEUTICS INC. (CA) 2020-09-03 US disclosed
WO-2019056120-A1 PENTAFLUOROPHENYL SULFONAMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF DALRIADA THERAPEUTICS INC. (CA) 2019-03-28 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-20200277268-A1 PENTAFLUOROPHENYL SULFONAMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF MKI67, PKD1, ETV6 HDAC6 499/4885HDAC8 1916/4885HDAC11 1481/4885

“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.