SCHEMBL698615

SCHEMBL698615

CC(C)(C)OC(=O)NCCCCC(CO)NC(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.64
MAPT P10636 2/20 0.62
KLK7 P49862 2/20 0.53
KLK5 Q9Y337 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
FOLH1 Q04609 2/20 0.50
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
SIRT2 Q8IXJ6 5/20 0.48
SIRT1 Q96EB6 3/20 0.48
SIRT3 Q9NTG7 3/20 0.48

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
SCHEMBL4103836 1.00 SYK (0.64) SYKMAPTKLK7KLK5L3MBTL1
SCHEMBL23161521 0.97 SYK (0.65) SYKMAPTKLK7KLK5L3MBTL1
SCHEMBL19301063 0.97 SYK (0.65) SYKMAPTKLK7KLK5L3MBTL1
SCHEMBL2512642 0.97 SYK (0.65) SYKMAPTKLK7KLK5L3MBTL1
SCHEMBL29401232 0.96 MAPT (0.67) SYKMAPTKLK7KLK5FOLH1
SCHEMBL30915257 0.96 MAPT (0.67) SYKMAPTKLK7KLK5FOLH1
SCHEMBL8838459 0.96 MAPT (0.67) SYKMAPTKLK7KLK5FOLH1
SCHEMBL21789935 0.92 MAPT (0.63) SYKMAPTKLK7KLK5L3MBTL1
SCHEMBL21790401 0.92 MAPT (0.63) SYKMAPTKLK7KLK5L3MBTL1
SCHEMBL2512643 0.92 MAPT (0.63) SYKMAPTKLK7KLK5L3MBTL1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111349053-A Inhibitors of lysine porphyromonas gingivalis protease 库特克希米公司 2020-06-30 CN disclosed
EP-2051968-B1 LUMINESCENT MACROCYCLIC LANTHANIDE COMPLEXES UNIV CALIFORNIA (US) 2020-04-29 EP disclosed
CN-107108468-B Inhibitors of lysine porphyromonas gingivalis protease 库特克希米公司 2020-01-03 CN disclosed
US-10352938-B2 Macrocyclic HOPO chelators LUMIPHORE, INC. (US) 2019-07-16 US disclosed
EP-2423201-B1 Luminescent macrocyclic lanthanide complexes UNIV CALIFORNIA (US) 2017-10-04 EP disclosed
US-20160320399-A1 MACROCYCLIC HOPO CHELATORS LUMIPHORE, INC. 2016-11-03 US disclosed
US-9273059-B2 Macrocyclic HOPO chelators LUMIPHORE, INC. (US) 2016-03-01 US disclosed
EP-2029526-B1 LYSINE RELATED DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS JANSSEN R & D IRELAND (IE) 2014-08-06 EP disclosed
US-8729258-B2 Luminescent macrocyclic lanthanide complexes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-05-20 US disclosed
US-20120329174-A1 LUMINESCENT MACROCYCLIC LANTHANIDE COMPLEXES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-27 US disclosed
US-8318779-B2 Lysine related derivatives as HIV aspartyl protease inhibitors JANSSEN R&D IRELAND (IE) 2012-11-27 US disclosed
US-20120214253-A1 MACROCYCLIC HOPO CHELATORS LUMIPHORE, INC. (US) 2012-08-23 US disclosed
US-8173800-B2 Hydroxy-isophthalamide moieties; antibodies; high stability, luminescence; kits THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-05-08 US disclosed
EP-2423201-A1 Luminescent macrocyclic lanthanide complexes The Regents of The University of California (US) 2012-02-29 EP disclosed
WO-2011025790-A1 MACROCYCLIC HOPO CHELATORS LUMIPHORE, INC. (US) 2011-03-03 WO disclosed
US-20090118339-A1 LYSINE RELATED DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2009-05-07 US disclosed
EP-2029526-A1 LYSINE RELATED DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS Tibotec Pharmaceuticals Ltd. (IE) 2009-03-04 EP disclosed
US-20080213917-A1 LUMINESCENT MACROCYCLIC LANTHANIDE COMPLEXES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-04 US disclosed
WO-2007138069-A1 LYSINE RELATED DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-12-06 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-20080213917-A1 LUMINESCENT MACROCYCLIC LANTHANIDE COMPLEXES SSB, HACD3, CLTA SYK 4342/4885MAPT 1513/4885KLK7 1672/4885
US-20120329174-A1 LUMINESCENT MACROCYCLIC LANTHANIDE COMPLEXES SSB, HACD3, CLTA SYK 4342/4885MAPT 1513/4885KLK7 1672/4885
US-20160320399-A1 MACROCYCLIC HOPO CHELATORS PHPT1, SSB, CD69 SYK 1866/4885MAPT 2711/4885KLK7 877/4885
US-20090118339-A1 LYSINE RELATED DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS DNPEP, PEPD, PREP SYK 3195/4885MAPT 373/4885KLK7 127/4885
US-20120214253-A1 MACROCYCLIC HOPO CHELATORS PHPT1, SSB, CD69 SYK 1866/4885MAPT 2711/4885KLK7 877/4885
US-10352938-B2 Macrocyclic HOPO chelators PHPT1, SSB, CD69 SYK 1866/4885MAPT 2711/4885KLK7 877/4885

“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.