SCHEMBL22482990

SCHEMBL22482990

COc1ccc(CN(Cc2ccc(C(=O)NO)cc2)C(=O)c2c(F)c(F)c(F)c(F)c2F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 15/20 0.65
▸ HDAC3 O15379 6/20 0.65
▸ HDAC8 Q9BY41 10/20 0.61
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ HDAC1 Q13547 8/20 0.55
▸ HDAC7 Q8WUI4 2/20 0.53
▸ HDAC10 Q969S8 2/20 0.53
▸ HDAC11 Q96DB2 4/20 0.53
▸ LPAR1 Q92633 1/20 0.49
▸ LPAR5 Q9H1C0 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ GPR55 Q9Y2T6 1/20 0.49
▸ L3MBTL1 Q9Y468 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
SCHEMBL22482989 0.82 NPC1 (0.67) HDAC6HDAC3HDAC8HDAC1HDAC7
SCHEMBL22483016 0.82 HDAC6 (0.70) HDAC6HDAC3HDAC8HDAC1HDAC7
SCHEMBL22482984 0.79 HDAC6 (1.00) HDAC6HDAC3HDAC8HDAC1HDAC7
SCHEMBL24472769 0.79 HDAC6 (0.77) HDAC6HDAC3HDAC8CA1CA2
SCHEMBL942259 0.75 CA1 (1.00) HDAC6HDAC8CA1CA2HDAC1
SCHEMBL23584079 0.74 HDAC1 (0.77) HDAC6HDAC3HDAC8HDAC1HDAC7
Hydrochloric Acid SCHEMBL8880498 0.73 CA1 (0.96) HDAC6HDAC8CA1CA2HDAC1
SCHEMBL28699833 0.72 CA1 (0.59) HDAC6HDAC8CA1CA2HDAC1
SCHEMBL22483022 0.72 HDAC6 (1.00) HDAC6HDAC3HDAC8HDAC1HDAC11
SCHEMBL3611117 0.72 HDAC6 (0.58) HDAC6HDAC3HDAC8HDAC1HDAC7

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 1/4885HDAC3 4/4885HDAC8 11/4885

“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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