SCHEMBL4154259

SCHEMBL4154259

CCOC(=O)c1coc2c(Cl)cccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.55
TSHR P16473 1/20 0.49
CDC25B P30305 4/20 0.47
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CLEC4M Q9H2X3 1/20 0.44
CDC25A P30304 1/20 0.44
CDC25C P30307 1/20 0.44
ALOX5 P09917 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAOA P21397 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL17652421 0.85 MAOB (0.57) MAOBTSHRCDC25BALDH1A1HSD17B10
SCHEMBL20793835 0.83 NR4A2 (0.54) TSHRALDH1A1HSD17B10KDM4EMEN1
SCHEMBL31107695 0.82 MAOB (0.58) MAOBTSHRCDC25BALDH1A1HSD17B10
SCHEMBL2729055 0.82 MAOB (0.58) MAOBTSHRCDC25BALDH1A1HSD17B10
SCHEMBL6837905 0.81 MAOB (0.53) MAOBTSHRCDC25BALDH1A1HSD17B10
SCHEMBL1339583 0.79 CYP4F2 (0.47) MAOBTSHRALDH1A1HSD17B10MAPK1
SCHEMBL15898825 0.79 KDM4E (0.56) MAOBTSHRCDC25BALDH1A1HSD17B10
SCHEMBL26130081 0.79 MAOB (0.51) MAOBTSHRCDC25BALDH1A1HSD17B10
SCHEMBL5749832 0.78 TSHR (0.59) TSHRCDC25BALDH1A1HSD17B10KDM4E
SCHEMBL4007022 0.78 TSHR (0.48) MAOBTSHRALDH1A1HSD17B10KDM4E

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 14 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
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
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-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
US-10428017-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE S.Á.R.L. (LU) 2019-10-01 US disclosed
WO-2019038250-A1 BORONIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2019-02-28 WO disclosed
WO-2018154493-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie S.à.r.l. (LU) 2018-08-30 WO disclosed
US-20180244640-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE S.Á.R.L. (LU) 2018-08-30 US disclosed
WO-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed
WO-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 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-10428017-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, CLCN2, SCNN1G MAOB 4429/4885TSHR 2071/4885CDC25B 3690/4885
US-20220153761-A1 Boronic Acid Derivatives PSMB7, PSMA7, BRD7 MAOB 3165/4885TSHR 4360/4885CDC25B 2232/4885
US-11274109-B2 Boronic acid derivatives PSMB7, PSMA7, BRD7 MAOB 3113/4885TSHR 4356/4885CDC25B 2249/4885
US-20180244640-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, CLCN2, SCNN1G MAOB 4429/4885TSHR 2071/4885CDC25B 3690/4885
US-11858951-B2 Boronic acid derivatives PSMB7, PSMA7, BRD7 MAOB 3165/4885TSHR 4360/4885CDC25B 2232/4885
US-20200354382-A1 Boronic Acid Derivatives PSMB7, PSMA7, BRD7 MAOB 3113/4885TSHR 4356/4885CDC25B 2249/4885

“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.