SCHEMBL20214566

SCHEMBL20214566

CC1(C)OB(c2ccc(CONC(=O)/C=C/c3cccc(S(=O)(=O)Nc4ccccc4)c3)cc2)OC1(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 1.00
HDAC8 Q9BY41 15/20 1.00
HDAC3 O15379 14/20 1.00
HDAC4 P56524 14/20 1.00
HDAC7 Q8WUI4 14/20 1.00
HDAC2 Q92769 14/20 1.00
HDAC10 Q969S8 14/20 1.00
HDAC11 Q96DB2 14/20 1.00
HDAC6 Q9UBN7 14/20 1.00
HDAC9 Q9UKV0 14/20 1.00
HDAC5 Q9UQL6 14/20 1.00
BRD4 O60885 1/20 0.53
ESR1 P03372 1/20 0.53
PTGS1 P23219 1/20 0.53
PDE4A P27815 1/20 0.53
PIK3CA P42336 1/20 0.53
HTR6 P50406 1/20 0.53
PDE4D Q08499 1/20 0.53
ASPH Q12797 1/20 0.53
NAMPT P43490 4/20 0.44

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
SCHEMBL27358258 0.85 HDAC3 (0.73) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL20226797 0.82 HDAC4 (0.70) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL20214211 0.82 HDAC3 (0.70) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL20214210 0.82 HDAC3 (0.70) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL20226796 0.76 HDAC3 (0.61) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL19862461 0.76 HDAC1 (0.74) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL20214549 0.73 HDAC3 (0.57) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL22018078 0.73 HDAC1 (0.72) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL13029037 0.72 HDAC1 (0.79) HDAC1HDAC8HDAC3HDAC4HDAC7
Belinostat SCHEMBL29712104 0.71 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC4HDAC7

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046715-B2 Boronic derivatives of hydroxamates as anticancer agents XAVIER UNIVERSITY OF LOUISIANA (US) 2021-06-29 US claimed
US-20200181175-A1 BORONIC DERIVATIVES OF HYDROXAMATES AS ANTICANCER AGENTS XAVIER UNIVERSITY OF LOUISIANA 2020-06-11 US claimed
WO-2018102261-A2 BORONIC DERIVATIVES HYDROXAMATES AS ANTICANCER AGENTS XAVIER UNIVERSITY OF LOUISIANA (US) 2018-06-07 WO claimed
US-11046715-B2 Boronic derivatives of hydroxamates as anticancer agents XAVIER UNIVERSITY OF LOUISIANA (US) 2021-06-29 US disclosed
US-20200181175-A1 BORONIC DERIVATIVES OF HYDROXAMATES AS ANTICANCER AGENTS XAVIER UNIVERSITY OF LOUISIANA 2020-06-11 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 (2 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-20200181175-A1 BORONIC DERIVATIVES OF HYDROXAMATES AS ANTICANCER AGENTS BCOR, BRDT, HDAC1 HDAC1 3/4885HDAC8 6/4885HDAC3 22/4885
US-11046715-B2 Boronic derivatives of hydroxamates as anticancer agents BCOR, BRDT, HDAC1 HDAC1 3/4885HDAC8 6/4885HDAC3 22/4885

“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.