SCHEMBL24473205

SCHEMBL24473205

CN(Cc1ccc(C(=O)NOC2CCCCO2)cc1)Sc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 1/20 0.42
▸ GSTM2 P28161 1/20 0.42
▸ P2RX3 P56373 1/20 0.40
▸ HDAC6 Q9UBN7 5/20 0.36
▸ HDAC3 O15379 3/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ HDAC8 Q9BY41 3/20 0.36
▸ HDAC11 Q96DB2 2/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ SSTR3 P32745 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33

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) GSTP1GSTM2P2RX3HDAC6HDAC3
SCHEMBL24473144 0.81 GSTP1 (0.43) GSTP1GSTM2P2RX3HDAC6EPHX2
SCHEMBL22483031 0.79 HDAC6 (0.62) GSTP1GSTM2P2RX3HDAC6HDAC3
SCHEMBL19167335 0.78 GSTP1 (0.48) GSTP1GSTM2P2RX3EPHX2KMT2A
SCHEMBL19021370 0.78 GSTP1 (0.48) GSTP1GSTM2P2RX3EPHX2KMT2A
SCHEMBL22482999 0.77 HDAC6 (0.48) P2RX3HDAC6HDAC3HDAC8HDAC11
SCHEMBL1350794 0.77 GSTP1 (0.48) GSTP1GSTM2P2RX3EPHX2KMT2A
SCHEMBL22482879 0.74 HDAC6 (0.56) GSTP1GSTM2P2RX3HDAC6HDAC3
SCHEMBL22482998 0.74 HDAC6 (0.55) HDAC6HDAC3HDAC8HDAC11ALDH1A1
SCHEMBL22483039 0.73 HDAC6 (0.47) P2RX3HDAC6HDAC3HDAC8HDAC11

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 1918/4885P2RX3 4754/4885

“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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