SCHEMBL698405

SCHEMBL698405

CC(C)(C)OC(=O)NCCc1cccc(C=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.49
POLB P06746 1/20 0.46
NAMPT P43490 1/20 0.46
IDO1 P14902 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CA2 P00918 2/20 0.44
CA1 P00915 1/20 0.44
CTSK P43235 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
SPR P35270 1/20 0.41
AKT1 P31749 1/20 0.41
GLS O94925 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL31235394 0.88 NQO2 (0.48) NQO2POLBNAMPTIDO1KDM4E
SCHEMBL29952891 0.86 GLS (0.52) NAMPTIDO1CA1CYP3A4GLS
SCHEMBL209838 0.86 GLS (0.52) NAMPTIDO1CA1CYP3A4GLS
SCHEMBL2636114 0.86 NQO2 (0.46) NQO2POLBNAMPTIDO1KDM4E
SCHEMBL732230 0.85 NQO2 (0.50) NQO2POLBNAMPTIDO1KDM4E
SCHEMBL693427 0.83 CA2 (0.53) NQO2NAMPTIDO1CA2CA1
SCHEMBL4166770 0.83 NQO2 (0.47) NQO2POLBNAMPTIDO1KDM4E
SCHEMBL4166768 0.83 NQO2 (0.47) NQO2POLBNAMPTIDO1KDM4E
SCHEMBL9985225 0.82 NQO2 (0.52) NQO2POLBNAMPTIDO1KDM4E
SCHEMBL69058 0.82 NQO2 (0.62) NQO2POLBNAMPTIDO1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024531-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2024-07-02 US disclosed
US-12024531-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2024-07-02 US disclosed
US-12024531-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2024-07-02 US disclosed
US-20230133165-A1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC. 2023-05-04 US disclosed
US-20230133165-A1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC. 2023-05-04 US disclosed
US-20230133165-A1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC. 2023-05-04 US disclosed
EP-3710457-B1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC (US) 2022-08-03 EP disclosed
US-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2020-11-17 US disclosed
EP-3710457-A1 IMMUNOPROTEASOME INHIBITORS Principia Biopharma, Inc. (US) 2020-09-23 EP disclosed
CN-111491939-A Immunoproteasome inhibitors 普林斯匹亚生物制药公司 2020-08-04 CN disclosed
WO-2011163527-A1 PYRROLO- PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-29 WO disclosed
WO-2011143426-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 WO disclosed
US-20100273755-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY THERAVANCE BIOPHARMA R&D IP, LLC 2010-10-28 US disclosed
WO-2010123766-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND β2 ADRENERGIC RECEPTOR AGONIST ACTIVITY THERAVANCE, INC. (US) 2010-10-28 WO disclosed
EP-2076124-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-07-08 EP disclosed
US-20090170841-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. (US) 2009-07-02 US disclosed
WO-2008131368-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2008-10-30 WO disclosed
EP-1581516-A4 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS BRISTOL MYERS SQUIBB CO (US) 2007-10-17 EP disclosed
EP-1581516-A2 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS Bristol-Myers Squibb Company (US) 2005-10-05 EP disclosed
WO-2004047744-A2 3-HETEROCYCLIC BENZYLAMIDE DERIVATIVES AS POTASSIUM CHANNEL OPENERS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-10 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 (5 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-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A NQO2 793/4885POLB 3253/4885NAMPT 2508/4885
US-12024531-B2 Immunoproteasome inhibitors PSMC2, PSMB7, PSMB2 NQO2 1291/4885POLB 628/4885NAMPT 3266/4885
US-20230133165-A1 IMMUNOPROTEASOME INHIBITORS PSMC2, PSMB7, PSMB2 NQO2 1291/4885POLB 628/4885NAMPT 3266/4885
US-20100273755-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2A NQO2 559/4885POLB 2551/4885NAMPT 3227/4885
US-20090170841-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 NQO2 1816/4885POLB 1562/4885NAMPT 117/4885

“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.