SCHEMBL15426874

SCHEMBL15426874

NCCCC(=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 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC15A2 Q16348 1/20 0.49
▸ PTGS1 P23219 1/20 0.46
▸ GSTK1 Q9Y2Q3 1/20 0.46
▸ SLC6A5 Q9Y345 1/20 0.45
▸ CPB2 Q96IY4 1/20 0.42
▸ GLO1 Q04760 3/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ SLC7A5 Q01650 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ FAAH O00519 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 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
SCHEMBL16819856 1.00 SLC15A2 (0.49) SLC15A2PTGS1GSTK1SLC6A5CPB2
SCHEMBL16819865 0.96 SLC15A2 (0.48) SLC15A2PTGS1GSTK1SLC6A5CPB2
SCHEMBL16819863 0.96 SLC15A2 (0.48) SLC15A2PTGS1GSTK1SLC6A5CPB2
SCHEMBL15413175 0.93 SLC15A2 (0.47) SLC15A2PTGS1GSTK1SLC6A5CPB2
SCHEMBL16819851 0.90 SLC15A2 (0.55) SLC15A2SLC6A5CPB2CYP3A4SLC7A5
SCHEMBL15426898 0.90 SLC15A2 (0.55) SLC15A2SLC6A5CPB2CYP3A4SLC7A5
SCHEMBL15413155 0.90 PTGS1 (0.44) SLC15A2PTGS1GSTK1SLC6A5GLO1
SCHEMBL16819853 0.86 SLC15A2 (0.53) SLC15A2SLC6A5CPB2CYP3A4SLC7A5
SCHEMBL16819855 0.86 SLC15A2 (0.53) SLC15A2SLC6A5CPB2CYP3A4SLC7A5
SCHEMBL16819888 0.86 SLC15A2 (0.54) SLC15A2SLC6A5CPB2CYP3A4SLC7A5

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 15 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
US-10028935-B2 Stabilized multi-functional antioxidant compounds and methods of use XPD HOLDINGS, LLC (US) 2018-07-24 — — US disclosed
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-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-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
US-20150175552-A1 STABILIZED MULTI-FUNCTIONAL ANTIOXIDANT COMPOUNDS AND METHODS OF USE XPD HOLDINGS, LLC 2015-06-25 — — US disclosed
WO-2014011624-A2 STABILIZED MULTI-FUNCTIONAL ANTIOXIDANT COMPOUNDS AND METHODS OF USE XPD HOLDINGS LLC (US) 2014-01-16 — — 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 (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 SLC15A2 2163/4885PTGS1 965/4885GSTK1 26/4885
US-20150175552-A1 STABILIZED MULTI-FUNCTIONAL ANTIOXIDANT COMPOUNDS AND METHODS OF USE SOD1, GPX4, SOD3 SLC15A2 2163/4885PTGS1 965/4885GSTK1 26/4885
US-20170135986-A1 STABILIZED MULTI-FUNCTIONAL ANTIOXIDANT COMPOUNDS AND METHODS OF USE SOD1, GPX4, SOD3 SLC15A2 2163/4885PTGS1 965/4885GSTK1 26/4885
US-20160185718-A1 Stabilized Multi-Functional Antioxidant Compounds and Methods of Use SOD1, GPX4, SOD3 SLC15A2 2163/4885PTGS1 965/4885GSTK1 26/4885

“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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