SCHEMBL24473144

SCHEMBL24473144

O=C(NOC1CCCCO1)c1ccc(CNSc2c(F)c(F)c(F)c(F)c2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 1/20 0.43
▸ GSTM2 P28161 1/20 0.43
▸ EPHX2 P34913 1/20 0.41
▸ P2RX3 P56373 1/20 0.40
▸ SSTR3 P32745 6/20 0.39
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HPGD P15428 1/20 0.34

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 0.81 GSTP1 (0.42) GSTP1GSTM2EPHX2P2RX3SSTR3
SCHEMBL22482879 0.81 HDAC6 (0.56) GSTP1GSTM2EPHX2P2RX3SSTR3
SCHEMBL19021370 0.80 GSTP1 (0.48) GSTP1GSTM2EPHX2P2RX3SSTR3
SCHEMBL1350794 0.79 GSTP1 (0.48) GSTP1GSTM2EPHX2P2RX3MEN1
SCHEMBL19167335 0.78 GSTP1 (0.48) GSTP1GSTM2EPHX2P2RX3MEN1
SCHEMBL22483031 0.75 HDAC6 (0.62) GSTP1GSTM2EPHX2P2RX3SSTR3
SCHEMBL21471527 0.75 GSTP1 (0.51) GSTP1GSTM2EPHX2P2RX3MEN1
SCHEMBL23500769 0.75 MEN1 (0.54) GSTP1GSTM2EPHX2P2RX3SSTR3
SCHEMBL28409562 0.75 GSTP1 (0.51) GSTP1GSTM2EPHX2P2RX3MEN1
SCHEMBL24473203 0.75 HDAC6 (0.58) GSTP1GSTM2P2RX3HDAC6

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 1 patent. 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

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 GSTP1 2141/4885GSTM2 1918/4885EPHX2 2211/4885

“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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