SCHEMBL22482894

SCHEMBL22482894

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 13/20 1.00
▸ HDAC3 O15379 13/20 1.00
▸ HDAC6 Q9UBN7 11/20 1.00
▸ HDAC1 Q13547 10/20 0.58
▸ HDAC2 Q92769 9/20 0.58
▸ HDAC4 P56524 7/20 0.58
▸ HDAC9 Q9UKV0 6/20 0.58
▸ HDAC5 Q9UQL6 6/20 0.58
▸ HDAC7 Q8WUI4 5/20 0.58
▸ HDAC10 Q969S8 5/20 0.58
▸ HDAC11 Q96DB2 5/20 0.58
▸ TSHR P16473 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.55
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ MMP1 P03956 1/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ MMP9 P14780 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
SCHEMBL22482896 0.83 HDAC8 (0.71) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL30711975 0.79 HDAC8 (0.69) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL30598713 0.79 HDAC1 (0.73) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL22483021 0.78 HDAC6 (1.00) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL3919407 0.76 HDAC1 (0.70) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL3919405 0.76 HDAC1 (0.70) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL16806936 0.74 HDAC8 (0.67) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL3917217 0.74 HDAC1 (1.00) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL3360862 0.74 HDAC6 (1.00) HDAC8HDAC3HDAC6HDAC1HDAC2
SCHEMBL3360863 0.74 HDAC6 (1.00) HDAC8HDAC3HDAC6HDAC1HDAC2

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 4/4885HDAC6 1/4885

“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