SCHEMBL3136406

SCHEMBL3136406

CC(O)[C@H](NS(=O)(=O)c1ccc2c(c1)N(C)CCO2)C(=O)N[C@@H](CC1CCC1)B(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
CASP6 P55212 1/20 0.38
PTPN11 Q06124 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
USP9X Q93008 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL19387798 1.00 PKM (0.41) PKMKMT2AMEN1TDP1POLB
SCHEMBL13381040 1.00 PKM (0.41) PKMKMT2AMEN1TDP1POLB
SCHEMBL3139116 0.85 ALDH1A1 (0.44) KMT2AMEN1POLBALDH1A1
SCHEMBL19381923 0.85 ALDH1A1 (0.44) KMT2AMEN1POLBALDH1A1
SCHEMBL2509714 0.82 ALDH1A1 (0.43) KMT2AMEN1POLBALDH1A1
SCHEMBL19381916 0.73 ALDH1A1 (0.45) KMT2AMEN1POLBALDH1A1
SCHEMBL3148975 0.73 PSMB5 (0.51)
SCHEMBL19387780 0.72 ADAMTS4 (0.44)
SCHEMBL3148973 0.72 ADAMTS4 (0.44)
SCHEMBL13381032 0.72 ADAMTS4 (0.44)

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 8 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
EP-2346882-B1 DERIVATIVES OF 1-AMINO-2-CYCLOBUTYLETHYLBORONIC ACID MILLENNIUM PHARM INC (US) 2017-09-20 EP 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-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 PKM 3233/4885KMT2A 2149/4885MEN1 1827/4885
US-20140194387-A1 DERIVATIVES OF 1-AMINO-2-CYCLOBUTYLETHYLBORONIC ACID PSMB6, PSMB5, PSMB1 PKM 3233/4885KMT2A 2149/4885MEN1 1827/4885
US-10035811-B2 Derivatives of 1-amino-2-cyclobutylethylboronic acid PSMB6, PSMB5, PSMB1 PKM 3233/4885KMT2A 2149/4885MEN1 1827/4885
US-20170349611-A1 DERIVATIVES OF 1-AMINO-2-CYCLOBUTYLETHYLBORONIC ACID PSMB6, PSMB5, PSMB1 PKM 3233/4885KMT2A 2149/4885MEN1 1827/4885

“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.