SCHEMBL22482899

SCHEMBL22482899

O=C(/C=C/c1ccc(CN(C(=O)c2c(F)c(F)c(F)c(F)c2F)C2CC2)cc1)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 14/20 1.00
▸ HDAC3 O15379 14/20 1.00
▸ HDAC8 Q9BY41 13/20 1.00
▸ KDM1A O60341 2/20 0.49
▸ HDAC1 Q13547 9/20 0.46
▸ HDAC2 Q92769 8/20 0.46
▸ HDAC5 Q9UQL6 7/20 0.46
▸ HDAC4 P56524 5/20 0.46
▸ HDAC10 Q969S8 5/20 0.46
▸ HDAC11 Q96DB2 4/20 0.43
▸ HDAC7 Q8WUI4 3/20 0.43
▸ HDAC9 Q9UKV0 3/20 0.43
▸ ADAM17 P78536 1/20 0.43
▸ NSD2 O96028 1/20 0.41

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
SCHEMBL22483022 0.81 HDAC6 (1.00) HDAC6HDAC3HDAC8HDAC1HDAC11
SCHEMBL24472777 0.79 HDAC6 (0.70) HDAC6HDAC3HDAC8HDAC1HDAC2
SCHEMBL22482886 0.77 HDAC6 (0.69) HDAC6HDAC3HDAC8KDM1AHDAC1
SCHEMBL24472745 0.74 HDAC3 (0.59) HDAC6HDAC3HDAC8KDM1AHDAC1
SCHEMBL24472776 0.74 HDAC6 (0.59) HDAC6HDAC3HDAC8KDM1AHDAC1
SCHEMBL24472787 0.73 HDAC6 (0.58) HDAC6HDAC3HDAC8KDM1AHDAC1
SCHEMBL22483035 0.73 HDAC6 (0.63) HDAC6HDAC3HDAC8HDAC1HDAC2
SCHEMBL22482888 0.73 HDAC6 (0.71) HDAC6HDAC3HDAC8HDAC2HDAC11
SCHEMBL22482916 0.73 HDAC6 (0.70) HDAC6HDAC3HDAC8KDM1AHDAC1
SCHEMBL22482894 0.71 HDAC8 (1.00) HDAC6HDAC3HDAC8HDAC1HDAC2

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 HDAC6 1/4885HDAC3 4/4885HDAC8 11/4885

“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.

Send feedback