SCHEMBL24472777

SCHEMBL24472777

O=C(CCc1ccc(CN(C(=O)c2c(F)c(F)c(F)c(F)c2F)C2CC2)cc1)NO

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 9/20 0.70
▸ HDAC8 Q9BY41 9/20 0.70
▸ HDAC3 O15379 5/20 0.65
▸ NSD2 O96028 1/20 0.46
▸ HDAC1 Q13547 4/20 0.43
▸ HDAC2 Q92769 3/20 0.42
▸ AGER Q15109 2/20 0.42
▸ MTNR1A P48039 1/20 0.42
▸ HDAC11 Q96DB2 2/20 0.41
▸ OPRM1 P35372 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TACR1 P25103 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
SCHEMBL22483022 0.82 HDAC6 (1.00) HDAC6HDAC8HDAC3NSD2HDAC1
SCHEMBL22482899 0.79 HDAC6 (1.00) HDAC6HDAC8HDAC3NSD2HDAC1
SCHEMBL24472778 0.79 HDAC1 (0.48) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL24473209 0.76 HDAC6 (0.71) HDAC6HDAC8HDAC3HDAC1HDAC11
SCHEMBL24472779 0.71 HDAC6 (0.53) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL24472900 0.71 HDAC6 (0.73) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL22482922 0.69 HDAC1 (0.48) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL24473210 0.69 HDAC6 (0.75) HDAC6HDAC8HDAC3HDAC2HDAC11
SCHEMBL24472824 0.68 HDAC6 (0.73) HDAC6HDAC8HDAC3HDAC2HDAC11
SCHEMBL20683110 0.68 HDAC1 (0.61) HDAC6HDAC8HDAC3HDAC1HDAC2

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 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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