SCHEMBL15058729

SCHEMBL15058729

OB(O)Cc1occ2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2A6 P11509 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAOB P27338 2/20 0.30
MAOA P21397 1/20 0.30

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
SCHEMBL1746782 0.78 MAOB (0.40) KDM4EALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL2961433 0.74 TDP1 (0.37) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL28242978 0.74 VKORC1 (0.42) PTPN1MEN1KMT2AKDM4EALDH1A1
SCHEMBL28268580 0.74 ALDH1A1 (0.35) KDM4EALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL2094693 0.74 CYP2A6 (0.35) MEN1KMT2AKDM4EALDH1A1CYP2A6
SCHEMBL6002448 0.74 ALDH1A1 (0.35) KDM4EALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL9935525 0.74 TDP1 (0.35) PTPN1POLBMEN1KMT2AKDM4E
SCHEMBL9739681 0.74 HTR2A (0.43) KDM4EALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL2090282 0.73 MAPT (0.33) KDM4EALDH1A1TDP1MAOB
SCHEMBL27610645 0.73 ACP3 (0.34) POLBMEN1KMT2AKDM4EALDH1A1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858951-B2 Boronic acid derivatives MERCK PATENT GMBH (DE) 2024-01-02 US disclosed
EP-3826723-B1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2023-10-18 EP disclosed
EP-3672977-B1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2022-06-22 EP disclosed
US-20220153761-A1 Boronic Acid Derivatives MERCK PATENT GMBH (DE) 2022-05-19 US disclosed
US-11274109-B2 Boronic acid derivatives MERCK PATENT GMBH (DE) 2022-03-15 US disclosed
US-20210317145-A1 Boronic Acid Derivatives MERCK PATENT GMBH (DE) 2021-10-14 US disclosed
EP-3826723-A1 BORONIC ACID DERIVATIVES Merck Patent GmbH (DE) 2021-06-02 EP disclosed
EP-3201207-B1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2021-02-24 EP disclosed
US-20200354382-A1 Boronic Acid Derivatives MERCK PATENT GMBH (DE) 2020-11-12 US disclosed
EP-3672977-A1 BORONIC ACID DERIVATIVES Merck Patent GmbH (DE) 2020-07-01 EP disclosed
EP-3201207-A1 BORONIC ACID DERIVATIVES Merck Patent GmbH (DE) 2017-08-09 EP disclosed
EP-3201206-A1 BORONIC ACID DERIVATIVES Merck Patent GmbH (DE) 2017-08-09 EP disclosed
EP-3201205-A1 BORONIC ACID DERIVATIVES Merck Patent GmbH (DE) 2017-08-09 EP disclosed
US-9688702-B2 Alpha-amino boronic acid derivatives, selective immunoproteasome inhibitors ARES TRADING (CH) 2017-06-27 US disclosed
WO-2016050358-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2016-04-07 WO disclosed
WO-2016050359-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2016-04-07 WO disclosed
WO-2016050355-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2016-04-07 WO 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 (6 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-20210317145-A1 Boronic Acid Derivatives PSMB7, PSMA7, BRD7 PTPN1 2194/4885POLB 792/4885MEN1 993/4885
US-20220153761-A1 Boronic Acid Derivatives PSMB7, PSMA7, BRD7 PTPN1 2012/4885POLB 662/4885MEN1 1316/4885
US-11274109-B2 Boronic acid derivatives PSMB7, PSMA7, BRD7 PTPN1 2011/4885POLB 654/4885MEN1 1323/4885
US-20140364396-A1 Alpha-amino boronic acid derivatives, selective immunoproteasome inhibitors PSMB7, PSMA7, PSMB1 PTPN1 1720/4885POLB 554/4885MEN1 2160/4885
US-11858951-B2 Boronic acid derivatives PSMB7, PSMA7, BRD7 PTPN1 2012/4885POLB 662/4885MEN1 1316/4885
US-20200354382-A1 Boronic Acid Derivatives PSMB7, PSMA7, BRD7 PTPN1 2011/4885POLB 654/4885MEN1 1323/4885

“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.