SCHEMBL15413155

SCHEMBL15413155

CC(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.44
▸ GSTK1 Q9Y2Q3 1/20 0.44
▸ GLO1 Q04760 3/20 0.42
▸ SLC15A2 Q16348 1/20 0.42
▸ SLC6A5 Q9Y345 1/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ SLC7A5 Q01650 1/20 0.40
▸ QPCT Q16769 1/20 0.37
▸ QPCTL Q9NXS2 1/20 0.37
▸ F2 P00734 2/20 0.37
▸ PRSS1 P07477 2/20 0.37
▸ PRSS2 P07478 2/20 0.37
▸ PRSS3 P35030 2/20 0.37

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
SCHEMBL16819869 0.92 EPHX2 (0.45) SLC15A2SLC6A5EPHX2CYP3A4SLC7A5
SCHEMBL16819863 0.90 SLC15A2 (0.48) PTGS1GSTK1GLO1SLC15A2SLC6A5
SCHEMBL16819865 0.90 SLC15A2 (0.48) PTGS1GSTK1GLO1SLC15A2SLC6A5
SCHEMBL16819856 0.90 SLC15A2 (0.49) PTGS1GSTK1GLO1SLC15A2SLC6A5
SCHEMBL15426874 0.90 SLC15A2 (0.49) PTGS1GSTK1GLO1SLC15A2SLC6A5
SCHEMBL15426848 0.87 CYP3A4 (0.48) SLC15A2SLC6A5EPHX2CYP3A4SLC7A5
SCHEMBL16819867 0.87 CYP3A4 (0.48) SLC15A2SLC6A5EPHX2CYP3A4SLC7A5
SCHEMBL15413175 0.87 SLC15A2 (0.47) PTGS1GSTK1GLO1SLC15A2SLC6A5
SCHEMBL15413157 0.87 PTGS1 (0.40) PTGS1GSTK1GLO1SLC15A2SLC6A5
SCHEMBL15412687 0.84 EPHX2 (0.45) SLC15A2SLC6A5EPHX2CYP3A4SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10028935-B2 Stabilized multi-functional antioxidant compounds and methods of use XPD HOLDINGS, LLC (US) 2018-07-24 — — US claimed
US-20170135986-A1 STABILIZED MULTI-FUNCTIONAL ANTIOXIDANT COMPOUNDS AND METHODS OF USE XPD HOLDINGS, LLC 2017-05-18 — — US claimed
US-9382211-B2 Stabilized multi-functional antioxidant compounds and methods of use XPD HOLDINGS, LLC (US) 2016-07-05 — — US claimed
US-20150175552-A1 STABILIZED MULTI-FUNCTIONAL ANTIOXIDANT COMPOUNDS AND METHODS OF USE XPD HOLDINGS, LLC 2015-06-25 — — US claimed
EP-2872525-A2 STABILIZED MULTI-FUNCTIONAL ANTIOXIDANT COMPOUNDS AND METHODS OF USE XPD Holdings LLC (US) 2015-05-20 — — EP claimed
WO-2014011624-A2 STABILIZED MULTI-FUNCTIONAL ANTIOXIDANT COMPOUNDS AND METHODS OF USE XPD HOLDINGS LLC (US) 2014-01-16 — — WO claimed
US-10028935-B2 Stabilized multi-functional antioxidant compounds and methods of use XPD HOLDINGS, LLC (US) 2018-07-24 — — US disclosed
US-20170135986-A1 STABILIZED MULTI-FUNCTIONAL ANTIOXIDANT COMPOUNDS AND METHODS OF USE XPD HOLDINGS, LLC 2017-05-18 — — US disclosed
US-9593079-B2 Stabilized multi-functional antioxidant compounds and methods of use XPD HOLDINGS, LLC (US) 2017-03-14 — — US disclosed
US-9382211-B2 Stabilized multi-functional antioxidant compounds and methods of use XPD HOLDINGS, LLC (US) 2016-07-05 — — US disclosed
US-20160185718-A1 Stabilized Multi-Functional Antioxidant Compounds and Methods of Use XPD HOLDINGS, LLC 2016-06-30 — — US disclosed
US-20150175552-A1 STABILIZED MULTI-FUNCTIONAL ANTIOXIDANT COMPOUNDS AND METHODS OF USE XPD HOLDINGS, LLC 2015-06-25 — — 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 (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-10028935-B2 Stabilized multi-functional antioxidant compounds and methods of use SOD1, GPX4, SOD3 PTGS1 965/4885GSTK1 26/4885GLO1 407/4885
US-20150175552-A1 STABILIZED MULTI-FUNCTIONAL ANTIOXIDANT COMPOUNDS AND METHODS OF USE SOD1, GPX4, SOD3 PTGS1 965/4885GSTK1 26/4885GLO1 407/4885
US-20170135986-A1 STABILIZED MULTI-FUNCTIONAL ANTIOXIDANT COMPOUNDS AND METHODS OF USE SOD1, GPX4, SOD3 PTGS1 965/4885GSTK1 26/4885GLO1 407/4885
US-20160185718-A1 Stabilized Multi-Functional Antioxidant Compounds and Methods of Use SOD1, GPX4, SOD3 PTGS1 965/4885GSTK1 26/4885GLO1 407/4885

“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.

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