SCHEMBL3149060

SCHEMBL3149060

CC1(C)[C@@H]2C[C@H]3OB([C@H](CC4CCC4)NC(=O)[C@H](Cc4ccccc4)NC(=O)c4ccc5[nH]c(-c6ccccc6)nc5c4)O[C@@]3(C)[C@H]1C2

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.60
PSEN2 P49810 1/20 0.60
APH1B Q8WW43 1/20 0.60
NCSTN Q92542 1/20 0.60
APH1A Q96BI3 1/20 0.60
PSENEN Q9NZ42 1/20 0.60
PSMB5 P28074 18/20 0.54
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51

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
SCHEMBL19381914 0.85 HDAC1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3135741 0.83 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19381911 0.83 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3153448 0.83 PSMB5 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3134127 0.80 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19382403 0.80 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3149476 0.80 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3143871 0.78 PSMB5 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7921841 0.78 IKBKB (0.41) PSMB5HDAC3HDAC1HDAC8HDAC6
SCHEMBL3140881 0.78 PSMB5 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346882-B1 DERIVATIVES OF 1-AMINO-2-CYCLOBUTYLETHYLBORONIC ACID MILLENNIUM PHARM INC (US) 2017-09-20 EP claimed
US-10035811-B2 Derivatives of 1-amino-2-cyclobutylethylboronic acid MILLENNIUM PHARMACEUTICALS, INC. (US) 2018-07-31 US disclosed
US-20170349611-A1 DERIVATIVES OF 1-AMINO-2-CYCLOBUTYLETHYLBORONIC ACID TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-07 US disclosed
US-9771381-B2 Derivatives of 1-amino-2-cyclobutylethylboronic acid MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-09-26 US disclosed
US-20140194387-A1 DERIVATIVES OF 1-AMINO-2-CYCLOBUTYLETHYLBORONIC ACID MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-8664200-B2 Derivatives of 1-amino-2-cyclobutylethylboronic acid MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-8664200-B2 Derivatives of 1-amino-2-cyclobutylethylboronic acid MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-20100081633-A1 Derivatives of 1-amino-2-cyclobutylethylboronic acid MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-01 US disclosed
US-20100081633-A1 Derivatives of 1-amino-2-cyclobutylethylboronic acid MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-01 US disclosed
US-20100081633-A1 Derivatives of 1-amino-2-cyclobutylethylboronic acid MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-01 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 (4 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-20100081633-A1 Derivatives of 1-amino-2-cyclobutylethylboronic acid PSMB6, PSMB5, PSMB1 PSEN1 150/4885PSEN2 309/4885APH1B 227/4885
US-20140194387-A1 DERIVATIVES OF 1-AMINO-2-CYCLOBUTYLETHYLBORONIC ACID PSMB6, PSMB5, PSMB1 PSEN1 150/4885PSEN2 309/4885APH1B 227/4885
US-10035811-B2 Derivatives of 1-amino-2-cyclobutylethylboronic acid PSMB6, PSMB5, PSMB1 PSEN1 150/4885PSEN2 309/4885APH1B 227/4885
US-20170349611-A1 DERIVATIVES OF 1-AMINO-2-CYCLOBUTYLETHYLBORONIC ACID PSMB6, PSMB5, PSMB1 PSEN1 150/4885PSEN2 309/4885APH1B 227/4885

“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.