SCHEMBL20847546

SCHEMBL20847546

COc1ccc(CN(C2CC2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 9/20 0.61
▸ HDAC8 Q9BY41 8/20 0.61
▸ HDAC11 Q96DB2 2/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ HDAC3 O15379 1/20 0.61
▸ CNR1 P21554 1/20 0.54
▸ CNR2 P34972 1/20 0.54
▸ TSHR P16473 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ APLNR P35414 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44

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
SCHEMBL20847566 0.87 HDAC6 (0.52) HDAC6HDAC8HDAC11L3MBTL1HDAC3
SCHEMBL20847550 0.85 HDAC6 (0.68) HDAC6HDAC8HDAC11L3MBTL1HDAC3
SCHEMBL20847638 0.83 HDAC6 (0.62) HDAC6HDAC8HDAC11L3MBTL1HDAC3
SCHEMBL20847560 0.83 HDAC6 (0.54) HDAC6HDAC8HDAC11L3MBTL1HDAC3
SCHEMBL20839227 0.82 HDAC6 (0.69) HDAC6HDAC8HDAC11L3MBTL1HDAC3
SCHEMBL20847603 0.82 HDAC6 (0.65) HDAC6HDAC8HDAC11L3MBTL1HDAC3
SCHEMBL20847554 0.82 HDAC6 (0.69) HDAC6HDAC8HDAC11L3MBTL1HDAC3
SCHEMBL20847484 0.82 HDAC6 (0.64) HDAC6HDAC8HDAC11L3MBTL1HDAC3
SCHEMBL20847557 0.82 HDAC6 (0.65) HDAC6HDAC8HDAC11L3MBTL1HDAC3
SCHEMBL20847601 0.81 HDAC6 (0.63) HDAC6HDAC8HDAC11HDAC3CNR1

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.

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