SCHEMBL22482879

SCHEMBL22482879

O=C(NOC1CCCCO1)c1ccc(CNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 2/20 0.56
▸ CA1 P00915 3/20 0.45
▸ CA2 P00918 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HSD11B1 P28845 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GSTP1 P09211 1/20 0.41
▸ GSTM2 P28161 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ MAPT P10636 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ P2RX3 P56373 1/20 0.39
▸ SSTR3 P32745 1/20 0.39
▸ HDAC3 O15379 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL24473203 0.82 HDAC6 (0.58) HDAC6GSTP1GSTM2P2RX3HDAC3
SCHEMBL24473144 0.81 GSTP1 (0.43) HDAC6CA1CA2ALDH1A1HPGD
SCHEMBL19021370 0.79 GSTP1 (0.48) CA1CA2HPGDL3MBTL1GSTP1
SCHEMBL22482999 0.79 HDAC6 (0.48) HDAC6CA1P2RX3HDAC3CA9
SCHEMBL1350794 0.78 GSTP1 (0.48) CA1CA2ALDH1A1HPGDL3MBTL1
SCHEMBL19167335 0.77 GSTP1 (0.48) ALDH1A1HPGDL3MBTL1GSTP1GSTM2
SCHEMBL22483031 0.74 HDAC6 (0.62) HDAC6ALDH1A1GSTP1GSTM2EPHX2
SCHEMBL24473205 0.74 GSTP1 (0.42) HDAC6CA1CA2ALDH1A1HPGD
SCHEMBL23500769 0.74 MEN1 (0.54) HPGDL3MBTL1GSTP1GSTM2EPHX2
SCHEMBL21471527 0.74 GSTP1 (0.51) ALDH1A1HPGDL3MBTL1GSTP1GSTM2

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 1/4885CA1 138/4885CA2 850/4885

“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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