SCHEMBL20214552

SCHEMBL20214552

COc1ccc(C(=O)NOCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.62
NPC1 O15118 5/20 0.62
CA1 P00915 6/20 0.51
CA2 P00918 6/20 0.51
CA9 Q16790 5/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 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
SCHEMBL20214793 0.89 CA1 (0.49) RAB9ANPC1CA1CA2CA9
SCHEMBL34464780 0.87 RAB9A (0.61) RAB9ANPC1CA1CA2CA9
SCHEMBL9985455 0.87 RAB9A (0.61) RAB9ANPC1CA1CA2CA9
SCHEMBL20214809 0.85 CA1 (0.46) RAB9ANPC1CA1CA2CA9
SCHEMBL22071360 0.85 CA1 (0.54) RAB9ANPC1CA1CA2CA9
SCHEMBL20214613 0.83 HDAC6 (0.60) RAB9ANPC1CA1CA2CA9
SCHEMBL20214602 0.83 HDAC3 (0.57) RAB9ANPC1CA1CA2CA9
SCHEMBL1558461 0.78 CA1 (0.56) CA1CA2CA9F11
SCHEMBL6110691 0.78 NPC1 (0.58) RAB9ANPC1CA1CA2CA9
SCHEMBL20214721 0.77 RXRA (0.55) RAB9ANPC1CA1CA2CA9

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 RAB9A 3029/4885NPC1 801/4885CA1 2223/4885
US-11046715-B2 Boronic derivatives of hydroxamates as anticancer agents BCOR, BRDT, HDAC1 RAB9A 3029/4885NPC1 801/4885CA1 2223/4885

“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.