SCHEMBL7828242

SCHEMBL7828242

O=C(CC(C(=O)O)c1cccc(Cl)c1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 1.00
MEN1 O00255 2/20 1.00
POLB P06746 3/20 0.55
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TSHR P16473 1/20 0.49
ACP3 P15309 1/20 0.45
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
PDPK1 O15530 1/20 0.45

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
SCHEMBL15075949 1.00 KMT2A (1.00) KMT2AMEN1POLBCYP2C9CYP2C19
SCHEMBL15075948 1.00 KMT2A (1.00) KMT2AMEN1POLBCYP2C9CYP2C19
SCHEMBL7820427 0.93 KMT2A (0.86) KMT2AMEN1POLBCYP2C9CYP2C19
SCHEMBL29110275 0.90 KMT2A (0.81) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL30121900 0.90 KMT2A (0.81) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL3450850 0.84 MEN1 (0.72) KMT2AMEN1POLBCYP2C9CYP2C19
SCHEMBL1754732 0.84 KMT2A (0.71) KMT2AMEN1POLBCYP2C9CYP2C19
SCHEMBL15075817 0.83 POLB (0.77) KMT2AMEN1POLBCYP2C9CYP2C19
SCHEMBL7821921 0.83 POLB (0.77) KMT2AMEN1POLBCYP2C9CYP2C19
SCHEMBL15075815 0.83 POLB (0.77) KMT2AMEN1POLBCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2793900-B1 ALPHA-AMINO BORONIC ACID DERIVATIVES, SELECTIVE IMMUNOPROTEASOME INHIBITORS ARES TRADING SA (CH) 2018-08-22 EP disclosed
CN-104321060-B Alpha-amino boronic acid derivative, selective immunoproteasome inhibitor 阿雷斯贸易股份有限公司 2018-08-07 CN disclosed
US-9688702-B2 Alpha-amino boronic acid derivatives, selective immunoproteasome inhibitors ARES TRADING (CH) 2017-06-27 US disclosed
CN-104321060-A Alpha-amino boronic acid derivatives, selective immunoproteasome inhibitors ARES TRADING SA 2015-01-28 CN disclosed
US-20140364396-A1 Alpha-amino boronic acid derivatives, selective immunoproteasome inhibitors ARES TRADING SA (CH) 2014-12-11 US disclosed
EP-2793900-A1 ALPHA-AMINO BORONIC ACID DERIVATIVES, SELECTIVE IMMUNOPROTEASOME INHIBITORS Ares Trading S.A. (CH) 2014-10-29 EP disclosed
WO-2013092979-A1 ALPHA-AMINO BORONIC ACID DERIVATIVES, SELECTIVE IMMUNOPROTEASOME INHIBITORS ARES TRADING S.A. (CH) 2013-06-27 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO 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 (1 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-20140364396-A1 Alpha-amino boronic acid derivatives, selective immunoproteasome inhibitors PSMB7, PSMA7, PSMB1 KMT2A 1576/4885MEN1 2160/4885POLB 554/4885

“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.