SCHEMBL20214809

SCHEMBL20214809

COc1ccc(C(=O)NOCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
SMPD1 P17405 4/20 0.45
NR1H4 Q96RI1 1/20 0.45
HDAC1 Q13547 4/20 0.44
HDAC8 Q9BY41 4/20 0.44
HDAC6 Q9UBN7 4/20 0.44
HDAC3 O15379 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC4 P56524 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL20214602 0.89 HDAC3 (0.57) CA1CA2CA9RAB9ANPC1
SCHEMBL20214552 0.85 RAB9A (0.62) CA1CA2CA9RAB9ANPC1
SCHEMBL9985455 0.82 RAB9A (0.61) CA1CA2CA9RAB9ANPC1
SCHEMBL34464780 0.82 RAB9A (0.61) CA1CA2CA9RAB9ANPC1
SCHEMBL20214793 0.81 CA1 (0.49) CA1CA2CA9RAB9ANPC1
SCHEMBL20226796 0.81 HDAC3 (0.61) RAB9ANPC1HDAC1HDAC8HDAC6
SCHEMBL22071360 0.80 CA1 (0.54) CA1CA2CA9RAB9ANPC1
SCHEMBL20214331 0.77 RAB9A (0.51) RAB9ANPC1SMPD1NR1H4HDAC1
SCHEMBL20214613 0.77 HDAC6 (0.60) CA1CA2CA9RAB9ANPC1
SCHEMBL20214711 0.73 NPC1 (0.45) CA1CA2CA9RAB9ANPC1

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-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
WO-2018102261-A2 BORONIC DERIVATIVES HYDROXAMATES AS ANTICANCER AGENTS XAVIER UNIVERSITY OF LOUISIANA (US) 2018-06-07 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 (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 CA1 2223/4885CA2 1088/4885CA9 941/4885
US-11046715-B2 Boronic derivatives of hydroxamates as anticancer agents BCOR, BRDT, HDAC1 CA1 2223/4885CA2 1088/4885CA9 941/4885

“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.