SCHEMBL2511490

SCHEMBL2511490

O=C1COc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CC3CC3)B(O)O)c(Cl)cc2N1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
TP53 P04637 5/20 0.51
PSMB5 P28074 1/20 0.50
PKM P14618 2/20 0.46
ACLY P53396 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 2/20 0.44
THRB P10828 2/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL3134786 0.97 TP53 (0.50) MAPTTP53PSMB5PKMACLY
SCHEMBL3149386 0.78 PSMB5 (0.72) PSMB5
SCHEMBL19381927 0.74 MEN1 (0.54) MAPTTP53PSMB5LMNATHRB
SCHEMBL3149025 0.71 PSMB5 (0.51) PSMB5
SCHEMBL15195208 0.70 MMP2 (0.48) MAPTPSMB5ALDH1A1
SCHEMBL2509714 0.70 ALDH1A1 (0.43) TP53PSMB5LMNAALDH1A1POLB
SCHEMBL19387845 0.70 PSMB5 (0.70) PSMB5
SCHEMBL2506921 0.69 PSMB5 (0.53) PSMB5
SCHEMBL2512511 0.69 PSMB5 (0.47) PSMB5POLB
SCHEMBL2506651 0.69 MEN1 (0.50) MAPTTP53PSMB5PKMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552216-B1 DERIVATIVES OF 1-AMINO-2-CYCLOPROPYLETHYLBORONIC ACID MILLENNIUM PHARM INC (US) 2018-01-24 EP claimed
EP-2552216-B1 DERIVATIVES OF 1-AMINO-2-CYCLOPROPYLETHYLBORONIC ACID MILLENNIUM PHARM INC (US) 2018-01-24 EP disclosed
EP-2552216-B1 DERIVATIVES OF 1-AMINO-2-CYCLOPROPYLETHYLBORONIC ACID MILLENNIUM PHARM INC (US) 2018-01-24 EP disclosed
US-9023832-B2 Derivatives of 1-amino-2-cyclopropylethylboronic acid MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-05-05 US disclosed
US-20140179631-A1 DERIVATIVES OF 1-AMINO-2-CYCLOPROPYLETHYLBORONIC ACID MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-06-26 US disclosed
US-20140011998-A1 DERIVATIVES OF 1-AMINO-2-CYCLOPROPYLETHYLBORONIC ACID MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-09 US disclosed
US-8513218-B2 Derivatives of 1-amino-2-cyclopropylethylboronic acid MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-20 US disclosed
US-8513218-B2 Derivatives of 1-amino-2-cyclopropylethylboronic acid MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-08-20 US disclosed
WO-2011123502-A1 DERIVATIVES OF 1-AMINO-2-CYCLOPROPYLETHYLBORONIC ACID MILLENNIUM PHARMACEUTICALS, INC (US) 2011-10-06 WO disclosed
US-20110245203-A1 DERIVATIVES OF 1-AMINO-2-CYCLOPROPYLETHYLBORONIC ACID MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-06 US disclosed
US-20110245203-A1 DERIVATIVES OF 1-AMINO-2-CYCLOPROPYLETHYLBORONIC ACID MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-06 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 (3 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-20140179631-A1 DERIVATIVES OF 1-AMINO-2-CYCLOPROPYLETHYLBORONIC ACID PSMB6, PSMB5, PSMB1 MAPT 1066/4885TP53 787/4885PSMB5 2/4885
US-20140011998-A1 DERIVATIVES OF 1-AMINO-2-CYCLOPROPYLETHYLBORONIC ACID PSMB6, PSMB5, PSMB1 MAPT 1066/4885TP53 787/4885PSMB5 2/4885
US-20110245203-A1 DERIVATIVES OF 1-AMINO-2-CYCLOPROPYLETHYLBORONIC ACID PSMB6, PSMB5, PSMB1 MAPT 1066/4885TP53 787/4885PSMB5 2/4885

“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.