SCHEMBL21532928

SCHEMBL21532928

CC(C)CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 18/20 1.00
PSMB1 P20618 4/20 0.81
PSMB2 P49721 3/20 0.80
PSEN1 P49768 1/20 0.77
PSEN2 P49810 1/20 0.77
APH1B Q8WW43 1/20 0.77
NCSTN Q92542 1/20 0.77
APH1A Q96BI3 1/20 0.77
PSENEN Q9NZ42 1/20 0.77
HDAC3 O15379 1/20 0.77
HDAC4 P56524 1/20 0.77
HDAC1 Q13547 1/20 0.77
HDAC7 Q8WUI4 1/20 0.77
HDAC2 Q92769 1/20 0.77
HDAC10 Q969S8 1/20 0.77
HDAC11 Q96DB2 1/20 0.77
HDAC8 Q9BY41 1/20 0.77
HDAC6 Q9UBN7 1/20 0.77
HDAC9 Q9UKV0 1/20 0.77
HDAC5 Q9UQL6 1/20 0.77

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
SCHEMBL17075365 1.00 PSMB5 (1.00) PSMB5PSMB1PSMB2PSEN1PSEN2
SCHEMBL12518944 1.00 PSMB5 (1.00) PSMB5PSMB1PSMB2PSEN1PSEN2
SCHEMBL12517369 1.00 PSMB5 (1.00) PSMB5PSMB1PSMB2PSEN1PSEN2
SCHEMBL17059315 1.00 PSMB5 (1.00) PSMB5PSMB1PSMB2PSEN1PSEN2
SCHEMBL15590907 1.00 PSMB5 (1.00) PSMB5PSMB1PSMB2PSEN1PSEN2
SCHEMBL8098845 1.00 PSMB5 (1.00) PSMB5PSMB1PSMB2PSEN1PSEN2
SCHEMBL21652530 1.00 PSMB5 (1.00) PSMB5PSMB1PSMB2PSEN1PSEN2
SCHEMBL21652541 1.00 PSMB5 (1.00) PSMB5PSMB1PSMB2PSEN1PSEN2
SCHEMBL21974555 1.00 PSMB5 (1.00) PSMB5PSMB1PSMB2PSEN1PSEN2
SCHEMBL13554074 1.00 PSMB5 (1.00) PSMB5PSMB1PSMB2PSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204558-A1 SYNTHESIS OF BORONIC ESTER AND ACID COMPOUNDS MILLENNIUM PHARM INC (US) 2022-06-30 US disclosed
EP-4008721-A1 SYNTHESIS OF BORONIC ESTER AND ACID COMPOUNDS Millennium Pharmaceuticals, Inc. (US) 2022-06-08 EP disclosed
EP-3385267-B1 SYNTHESIS OF BORONIC ESTER AND ACID COMPOUNDS MILLENNIUM PHARM INC (US) 2021-09-29 EP disclosed
US-20190330270-A1 SYNTHESIS OF BORONIC ESTER AND ACID COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. 2019-10-31 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-20220204558-A1 SYNTHESIS OF BORONIC ESTER AND ACID COMPOUNDS BTD, BCL6, BRAP PSMB5 17/4885PSMB1 48/4885PSMB2 57/4885
US-20190330270-A1 SYNTHESIS OF BORONIC ESTER AND ACID COMPOUNDS BTD, BCL6, BRAP PSMB5 17/4885PSMB1 48/4885PSMB2 57/4885

“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.