SCHEMBL22483037

SCHEMBL22483037

COc1ccc(CN(Cc2ccc(/C=C/C(=O)NO)cc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 14/20 0.58
▸ HDAC3 O15379 10/20 0.58
▸ HDAC1 Q13547 8/20 0.58
▸ HDAC2 Q92769 7/20 0.58
▸ HDAC6 Q9UBN7 13/20 0.57
▸ HDAC11 Q96DB2 7/20 0.54
▸ HDAC4 P56524 3/20 0.54
▸ HDAC7 Q8WUI4 2/20 0.54
▸ HDAC10 Q969S8 2/20 0.54
▸ HDAC9 Q9UKV0 2/20 0.54
▸ HDAC5 Q9UQL6 2/20 0.54
▸ BCHE P06276 1/20 0.49
▸ ACHE P22303 1/20 0.49

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
SCHEMBL22482696 0.88 HDAC6 (0.67) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL22483036 0.87 HDAC6 (0.67) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL29671340 0.82 APLNR (0.61) HDAC8HDAC6HDAC11
SCHEMBL24472769 0.82 HDAC6 (0.77) HDAC8HDAC3HDAC6HDAC11
SCHEMBL24472883 0.80 HDAC8 (0.59) HDAC8HDAC3HDAC1HDAC2HDAC6
SCHEMBL31034527 0.77 TAS2R14 (0.60) HDAC8HDAC6HDAC11
SCHEMBL29665682 0.77 APLNR (0.54) HDAC8HDAC6HDAC11
SCHEMBL31034579 0.77 HDAC6 (0.52) HDAC8HDAC3HDAC6HDAC11
SCHEMBL27020194 0.76 TAS2R14 (0.59) HDAC8HDAC6HDAC11
SCHEMBL22482886 0.76 HDAC6 (0.69) HDAC8HDAC3HDAC1HDAC2HDAC6

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-20220169598-A1 HALOGENATED PHENYLSULFONAMIDE HYDROXAMIC ACID COMPOUNDS, COMPOSITIONS AND USES THEREOF AS SELECTIVE HDAC6 INHIBITORS 2681603 ONTARIO INC. (CA) 2022-06-02 — — US disclosed
WO-2020194272-A1 HALOGENATED PHENYLSULFONAMIDE HYDROXAMIC ACID COMPOUNDS, COMPOSITIONS AND USES THEREOF AS SELECTIVE HDAC6 INHIBITORS 2681603 ONTARIO INC. (CA) 2020-10-01 — — 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-20220169598-A1 HALOGENATED PHENYLSULFONAMIDE HYDROXAMIC ACID COMPOUNDS, COMPOSITIONS AND USES THEREOF AS SELECTIVE HDAC6 INHIBITORS HDAC6, HDAC1, HDAC11 HDAC8 11/4885HDAC3 4/4885HDAC1 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.

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