SCHEMBL15058686

SCHEMBL15058686

CCOC(=O)CCC(=O)c1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.51
EGFR P00533 1/20 0.50
ERBB3 P21860 1/20 0.50
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
PARP1 P09874 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CTNNB1 P35222 1/20 0.44
WNT3A P56704 1/20 0.44
GLA P06280 1/20 0.44
CYP19A1 P11511 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
SCHEMBL30666326 1.00 RXFP1 (0.51) RXFP1EGFRERBB3KMT2AALDH1A1
SCHEMBL28196042 0.90 TDP1 (0.46) RXFP1EGFRERBB3KMT2AALDH1A1
SCHEMBL290760 0.86 RXFP1 (0.52) RXFP1KMT2AALDH1A1MAPTHPGD
SCHEMBL18340892 0.86 L3MBTL1 (0.50) RXFP1KMT2AALDH1A1HPGDKDM4E
SCHEMBL3949461 0.86 CTNNB1 (0.60) KMT2AALDH1A1MAPTHPGDKDM4E
SCHEMBL30666322 0.84 CTNNB1 (0.50) KMT2AALDH1A1MAPTHPGDKDM4E
SCHEMBL5313798 0.83 NPC1 (0.57) KMT2AALDH1A1MAPTHPGDKDM4E
SCHEMBL10456907 0.82 KMT2A (0.68) KMT2AALDH1A1MAPTHPGDMAPK1
SCHEMBL4266606 0.82 HPGD (0.50) KMT2AALDH1A1MAPTHPGDKDM4E
SCHEMBL15058334 0.82 ERCC5 (0.51) KMT2AALDH1A1MAPTHPGDMEN1

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
CN-105523874-A Preparation method of 2,2-dihalo-1,3-dicarbonyl derivatives ZHANGJIAGANG INST IND TECHNOLOGIES SOOCHOW UNIV 2016-04-27 CN claimed
CN-105503635-A Preparation method for 2-amidoformyl-1,3-dicarbonyl derivative UNIV SOOCHOW 2016-04-20 CN claimed
CN-105461496-A Preparation method for 2-halogenated-1,3-dicarbonyl derivative CHINASUN SPECIALTY PRODUCTS CO LTD 2016-04-06 CN claimed
EP-2793900-B1 ALPHA-AMINO BORONIC ACID DERIVATIVES, SELECTIVE IMMUNOPROTEASOME INHIBITORS ARES TRADING SA (CH) 2018-08-22 EP disclosed
US-9688702-B2 Alpha-amino boronic acid derivatives, selective immunoproteasome inhibitors ARES TRADING (CH) 2017-06-27 US disclosed
CN-105523874-A Preparation method of 2,2-dihalo-1,3-dicarbonyl derivatives ZHANGJIAGANG INST IND TECHNOLOGIES SOOCHOW UNIV 2016-04-27 CN disclosed
CN-105503635-A Preparation method for 2-amidoformyl-1,3-dicarbonyl derivative UNIV SOOCHOW 2016-04-20 CN disclosed
CN-105461496-A Preparation method for 2-halogenated-1,3-dicarbonyl derivative CHINASUN SPECIALTY PRODUCTS CO LTD 2016-04-06 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

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 RXFP1 4696/4885EGFR 3936/4885ERBB3 4268/4885

“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.