SCHEMBL20765804

SCHEMBL20765804

OCc1coc2c(Cl)cccc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 4/20 0.46
PSMB8 P28062 1/20 0.46
MAOB P27338 1/20 0.41
CYP1A2 P05177 2/20 0.39
CYP2A6 P11509 2/20 0.39
AHR P35869 3/20 0.37
TTR P02766 3/20 0.36
NR4A2 P43354 2/20 0.36
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL11622080 0.86 MAOB (0.56) PSMB5PSMB8MAOBTTRALOX12
SCHEMBL2094640 0.83 PSMB5 (0.42) PSMB5PSMB8CYP1A2CYP2A6AHR
SCHEMBL20765731 0.83 PSMB5 (0.42) PSMB5PSMB8CYP1A2CYP2A6AHR
SCHEMBL7568303 0.81 SMN1; SMN2 (0.55) PSMB5PSMB8TTRKDM4EMAPT
SCHEMBL10394749 0.79 PSMB5 (0.43) PSMB5PSMB8CYP1A2CYP2A6AHR
SCHEMBL10394688 0.77 PSMB5 (0.42) PSMB5PSMB8TTRNR4A2LMNA
SCHEMBL17652414 0.77 PSMB5 (0.46) PSMB5PSMB8MAOBCYP1A2CYP2A6
SCHEMBL9843775 0.77 MAOB (0.44) PSMB5PSMB8MAOBKDM4ESMN1; SMN2
SCHEMBL17653768 0.76 MAOB (0.43) PSMB5PSMB8MAOBLMNATP53
SCHEMBL2091348 0.75 PSMB5 (0.38) PSMB5PSMB8CYP1A2CYP2A6AHR

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 16 patents. 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
US-11858951-B2 Boronic acid derivatives MERCK PATENT GMBH (DE) 2024-01-02 US disclosed
US-11858951-B2 Boronic acid derivatives MERCK PATENT GMBH (DE) 2024-01-02 US disclosed
CN-111183142-B Boric acid derivatives 默克专利股份公司 2023-06-16 CN disclosed
EP-3672977-B1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2022-06-22 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-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-11274109-B2 Boronic acid derivatives MERCK PATENT GMBH (DE) 2022-03-15 US disclosed
US-20200354382-A1 Boronic Acid Derivatives MERCK PATENT GMBH (DE) 2020-11-12 US 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
CN-111183142-A Boronic acid derivatives 默克专利股份公司 2020-05-19 CN disclosed
WO-2019038250-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2019-02-28 WO disclosed
WO-2019038250-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2019-02-28 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 (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-20220153761-A1 Boronic Acid Derivatives PSMB7, PSMA7, BRD7 PSMB5 26/4885PSMB8 8/4885MAOB 3165/4885
US-11274109-B2 Boronic acid derivatives PSMB7, PSMA7, BRD7 PSMB5 23/4885PSMB8 8/4885MAOB 3113/4885
US-11858951-B2 Boronic acid derivatives PSMB7, PSMA7, BRD7 PSMB5 26/4885PSMB8 8/4885MAOB 3165/4885
US-20200354382-A1 Boronic Acid Derivatives PSMB7, PSMA7, BRD7 PSMB5 23/4885PSMB8 8/4885MAOB 3113/4885

“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.