SCHEMBL17899042

SCHEMBL17899042

CC(C)Nc1c(NC(C)(C)C)c(=O)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 6/20 0.37
CXCR2 P25025 2/20 0.36
ROCK1 Q13464 4/20 0.35
CHEK1 O14757 3/20 0.35
ROCK2 O75116 3/20 0.35
CHEK2 O96017 3/20 0.35
GSK3A P49840 3/20 0.35
GSK3B P49841 3/20 0.35
PRKX P51817 2/20 0.35
CSNK1G2 P78368 2/20 0.35
CDC42BPA Q5VT25 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
CSNK1G1 Q9HCP0 2/20 0.35
STK17A Q9UEE5 2/20 0.35
CSNK1G3 Q9Y6M4 2/20 0.35
PLK4 O00444 2/20 0.35
PIM1 P11309 2/20 0.35
PLK3 Q9H4B4 2/20 0.35
CDC7 O00311 1/20 0.35
DAPK3 O43293 1/20 0.35

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
SCHEMBL22895152 0.83 CXCR2 (0.39) PLK1CXCR2ROCK1CHEK1ROCK2
SCHEMBL9962285 0.83 CXCR2 (0.40) PLK1CXCR2ROCK1CHEK1ROCK2
SCHEMBL12784271 0.73 CXCR2 (0.35) PLK1CXCR2ROCK1CHEK1ROCK2
SCHEMBL16683780 0.73 CXCR2 (0.36) PLK1CXCR2ROCK1CHEK1ROCK2
SCHEMBL19196478 0.73 CXCR2 (0.30) PLK1CXCR2
SCHEMBL25477849 0.70 CXCR2 (0.33) PLK1CXCR2
SCHEMBL8229788 0.69 CXCR2 (0.33) CXCR2GAA
SCHEMBL26721081 0.68 PLK1 (0.33) PLK1CXCR2ROCK1ROCK2CHEK2
SCHEMBL26546660 0.68 HTT (0.35) PLK1CXCR2ROCK1CHEK1ROCK2
SCHEMBL2625576 0.68 LMNA (0.36) PLK1CXCR2ROCK1CHEK1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067756-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS UNIV YALE (US) 2024-02-29 US disclosed
US-11767301-B2 Bi-functional molecules to degrade circulating proteins YALE UNIVERSITY (US) 2023-09-26 US disclosed
US-11236055-B2 Non-systemic TGR5 agonists Venenum Biodesign, LLC (US) 2022-02-01 US disclosed
US-20210284988-A1 REPROGRAMMING UROKINASE INTO AN ANTIBODY-RECRUITING ANTICANCER AGENT UNIV YALE (US) 2021-09-16 US disclosed
US-20210206757-A1 N-SUBSTITUTED-DIOXOCYCLOBUTENYLAMINO-3-HYDROXY-PICOLINAMIDES USEFUL AS CCR6 INHIBITORS PFIZER INC. (US) 2021-07-08 US disclosed
US-20210139436-A1 Bi-functional Molecules to Degrade Circulating Proteins YALE UNIVERSITY 2021-05-13 US disclosed
US-10780084-B2 Antibody-recruiting molecules for the treatment of cancer YALE UNIVERSITY (US) 2020-09-22 US disclosed
US-10730862-B2 Compounds and methods for the enhanced degradation of targeted proteins and other polypeptides by an E3 ubiquitin ligase YALE UNIVERSITY (US) 2020-08-04 US disclosed
US-10703743-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus YALE UNIVERSITY (US) 2020-07-07 US disclosed
US-10703823-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells YALE UNIVERSITY (US) 2020-07-07 US disclosed
US-20190127487-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS YALE UNIVERSITY 2019-05-02 US disclosed
US-20190002447-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-01-03 US disclosed
US-10016412-B2 TLR-agonist-conjugated antibody recruiting molecules (TLR-ARMs) YALE UNIVERSITY (US) 2018-07-10 US disclosed
US-9926275-B2 Allosteric modulators of the cannabinoid 1 receptor NORTHEASTERN UNIVERSITY (US) 2018-03-27 US disclosed
US-9926275-B2 Allosteric modulators of the cannabinoid 1 receptor NORTHEASTERN UNIVERSITY (US) 2018-03-27 US disclosed
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2018-03-08 US disclosed
US-20170307614-A1 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same UNIV YALE (US) 2017-10-26 US disclosed
US-20170067874-A1 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-09 US disclosed
US-9562038-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus YALE UNIVERSITY (US) 2017-02-07 US disclosed
US-20160194284-A1 ALLOSTERIC MODULATORS OF THE CANNABINOID 1 RECEPTOR NORTHEASTERN UNIVERSITY (US) 2016-07-07 US 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 (17 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-20160194284-A1 ALLOSTERIC MODULATORS OF THE CANNABINOID 1 RECEPTOR CNR1, CNR2, GPR119 PLK1 3433/4885CXCR2 2408/4885ROCK1 3808/4885
US-11767301-B2 Bi-functional molecules to degrade circulating proteins MIF, ASGR1, FCGR2A PLK1 3409/4885CXCR2 672/4885ROCK1 3071/4885
US-10016412-B2 TLR-agonist-conjugated antibody recruiting molecules (TLR-ARMs) TLR3, TLR4, TLR1 PLK1 766/4885CXCR2 274/4885ROCK1 3832/4885
US-20210206757-A1 N-SUBSTITUTED-DIOXOCYCLOBUTENYLAMINO-3-HYDROXY-PICOLINAMIDES USEFUL AS CCR6 INHIBITORS CCR6, CCR1, CCR3 PLK1 3301/4885CXCR2 13/4885ROCK1 4522/4885
US-10703743-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus CD4, HAVCR2, CD2 PLK1 3307/4885CXCR2 2924/4885ROCK1 4240/4885
US-20190002447-A1 BIFUNCTIONAL MOLECULES WITH ANTIBODY-RECRUITING AND ENTRY INHIBITORY ACTIVITY AGAINST THE HUMAN IMMUNODEFICIENCY VIRUS CD4, HAVCR2, CD2 PLK1 3307/4885CXCR2 2924/4885ROCK1 4240/4885
US-10730862-B2 Compounds and methods for the enhanced degradation of targeted proteins and other polypeptides by an E3 ubiquitin ligase VHL, MDM2, NEDD4 PLK1 274/4885CXCR2 3615/4885ROCK1 3136/4885
US-20190127487-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS BRDT, PAICS, KLK3 PLK1 302/4885CXCR2 584/4885ROCK1 2114/4885
US-11236055-B2 Non-systemic TGR5 agonists SSTR5, GPR119, FFAR3 PLK1 4576/4885CXCR2 864/4885ROCK1 3383/4885
US-20170067874-A1 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same HSP90B1, LAMP2, PSMG3 PLK1 1306/4885CXCR2 3653/4885ROCK1 3438/4885
US-20240067756-A1 CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS BRDT, PAICS, KLK3 PLK1 302/4885CXCR2 584/4885ROCK1 2114/4885
US-20210139436-A1 Bi-functional Molecules to Degrade Circulating Proteins MIF, ASGR1, FCGR2A PLK1 3409/4885CXCR2 672/4885ROCK1 3071/4885
US-20210284988-A1 REPROGRAMMING UROKINASE INTO AN ANTIBODY-RECRUITING ANTICANCER AGENT PLAUR, CD47, CD14 PLK1 242/4885CXCR2 216/4885ROCK1 1637/4885
US-10703823-B2 Chimeric small molecules for the recruitment of antibodies to cancer cells BRDT, PAICS, KLK3 PLK1 302/4885CXCR2 584/4885ROCK1 2114/4885
US-20170307614-A1 Small-Molecule Hydrophobic Tagging of Fusion Proteins and Induced Degradation of Same HSP90B1, LAMP2, PSMG3 PLK1 1351/4885CXCR2 3819/4885ROCK1 3453/4885
US-10780084-B2 Antibody-recruiting molecules for the treatment of cancer PLAUR, C3AR1, C5AR1 PLK1 442/4885CXCR2 648/4885ROCK1 3153/4885
US-20180065974-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK PLK1 184/4885CXCR2 826/4885ROCK1 271/4885

“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.