SCHEMBL22483031

SCHEMBL22483031

O=C(NOC1CCCCO1)c1ccc(CN(C(=O)c2c(F)c(F)c(F)c(F)c2F)C2CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 11/20 0.62
▸ HDAC8 Q9BY41 9/20 0.62
▸ HDAC3 O15379 4/20 0.48
▸ P2RX3 P56373 1/20 0.41
▸ AGER Q15109 3/20 0.41
▸ MTNR1A P48039 1/20 0.41
▸ NSD2 O96028 1/20 0.40
▸ GSTP1 P09211 1/20 0.40
▸ GSTM2 P28161 1/20 0.40
▸ HDAC11 Q96DB2 2/20 0.39
▸ EPHX2 P34913 1/20 0.36
▸ SSTR3 P32745 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL24473205 0.79 GSTP1 (0.42) HDAC6HDAC8HDAC3P2RX3GSTP1
SCHEMBL24473203 0.78 HDAC6 (0.58) HDAC6HDAC8HDAC3P2RX3GSTP1
SCHEMBL19021370 0.78 GSTP1 (0.48) P2RX3GSTP1GSTM2EPHX2SSTR3
SCHEMBL22483022 0.78 HDAC6 (1.00) HDAC6HDAC8HDAC3NSD2HDAC11
SCHEMBL1350794 0.77 GSTP1 (0.48) P2RX3GSTP1GSTM2EPHX2ALDH1A1
SCHEMBL19167335 0.76 GSTP1 (0.48) P2RX3GSTP1GSTM2EPHX2ALDH1A1
SCHEMBL22482999 0.75 HDAC6 (0.48) HDAC6HDAC8HDAC3P2RX3HDAC11
SCHEMBL24473144 0.75 GSTP1 (0.43) HDAC6P2RX3GSTP1GSTM2EPHX2
SCHEMBL22482879 0.74 HDAC6 (0.56) HDAC6HDAC8HDAC3P2RX3GSTP1
SCHEMBL23500769 0.73 MEN1 (0.54) P2RX3GSTP1GSTM2EPHX2SSTR3

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 1/4885HDAC8 11/4885HDAC3 4/4885

“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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