SCHEMBL3148973

SCHEMBL3148973

CC(O)[C@H](NS(=O)(=O)c1ccc(Oc2ccccc2)nc1)C(=O)N[C@@H](CC1CCC1)B(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 4/20 0.44
MMP1 P03956 4/20 0.44
MMP13 P45452 4/20 0.44
MMP2 P08253 2/20 0.44
MMP14 P50281 2/20 0.44
ADAMTS5 Q9UNA0 1/20 0.44
LONP1 P36776 3/20 0.40
PSMB5 P28074 3/20 0.40
PSMB11 A5LHX3 2/20 0.40
PSMA7 O14818 2/20 0.40
PSMB1 P20618 2/20 0.40
PSMA1 P25786 2/20 0.40
PSMA2 P25787 2/20 0.40
PSMA3 P25788 2/20 0.40
PSMA4 P25789 2/20 0.40
PSMB8 P28062 2/20 0.40
PSMB9 P28065 2/20 0.40
PSMA5 P28066 2/20 0.40
PSMB4 P28070 2/20 0.40
PSMB6 P28072 2/20 0.40

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
SCHEMBL19387780 1.00 ADAMTS4 (0.44) ADAMTS4MMP1MMP13MMP2MMP14
SCHEMBL13381032 1.00 ADAMTS4 (0.44) ADAMTS4MMP1MMP13MMP2MMP14
SCHEMBL19382404 0.85 PSMB5 (0.53) ADAMTS4MMP1MMP13MMP2MMP14
SCHEMBL3143565 0.85 PSMB5 (0.53) ADAMTS4MMP1MMP13MMP2MMP14
SCHEMBL7923737 0.84 MMP2 (0.60) ADAMTS4MMP1MMP13MMP2MMP14
SCHEMBL2512498 0.82 PSMB5 (0.50) ADAMTS4MMP1MMP13MMP2MMP14
SCHEMBL3149645 0.76 PSMB5 (0.51) ADAMTS4MMP2LONP1PSMB5PSMB11
SCHEMBL3134109 0.73 PSMB11 (0.46) MMP1MMP2LONP1PSMB5PSMB11
SCHEMBL19381926 0.73 PSMB5 (0.61) LONP1PSMB5PSMB11PSMA7PSMB1
SCHEMBL3148974 0.73 PSMB5 (0.61) LONP1PSMB5PSMB11PSMA7PSMB1

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 ADAMTS4 3993/4885MMP1 4109/4885MMP13 3885/4885
US-20140194387-A1 DERIVATIVES OF 1-AMINO-2-CYCLOBUTYLETHYLBORONIC ACID PSMB6, PSMB5, PSMB1 ADAMTS4 3993/4885MMP1 4109/4885MMP13 3885/4885
US-10035811-B2 Derivatives of 1-amino-2-cyclobutylethylboronic acid PSMB6, PSMB5, PSMB1 ADAMTS4 3993/4885MMP1 4109/4885MMP13 3885/4885
US-20170349611-A1 DERIVATIVES OF 1-AMINO-2-CYCLOBUTYLETHYLBORONIC ACID PSMB6, PSMB5, PSMB1 ADAMTS4 3993/4885MMP1 4109/4885MMP13 3885/4885

“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.