SCHEMBL20847648

SCHEMBL20847648

O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)N(Cc1ncccc1C(F)(F)F)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.46
HDAC8 Q9BY41 7/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC3 O15379 1/20 0.46
NFE2L2 Q16236 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CXCR4 P61073 2/20 0.36
SSTR4 P31391 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35
HSD11B1 P28845 3/20 0.35
ESR2 Q92731 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL20847657 0.78 NPSR1 (0.54) HDAC6HDAC8HDAC11HDAC3NPSR1
SCHEMBL20847649 0.77 HDAC6 (0.46) HDAC6HDAC8HDAC11HDAC3SLC6A2
SCHEMBL20847595 0.76 HDAC6 (0.48) HDAC6HDAC8HDAC11HDAC3SLC40A1
SCHEMBL20847585 0.75 HDAC6 (0.47) HDAC6HDAC8HDAC11HDAC3NPSR1
SCHEMBL20847643 0.73 CXCR4 (0.37) SLC6A2SLC6A4SLC6A3CXCR4SSTR4
SCHEMBL20847564 0.73 HDAC6 (0.62) HDAC6HDAC8HDAC11HDAC3
SCHEMBL20847484 0.72 HDAC6 (0.64) HDAC6HDAC8HDAC11HDAC3
SCHEMBL20839235 0.72 HDAC6 (0.67) HDAC6HDAC8HDAC11HDAC3
SCHEMBL20847570 0.72 HDAC6 (0.46) HDAC6HDAC8HDAC11HDAC3
SCHEMBL20847759 0.70 HDAC6 (0.52) HDAC6HDAC8HDAC11HDAC3SLC6A2

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.