SCHEMBL15426873

SCHEMBL15426873

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 3/20 0.45
▸ QPCT Q16769 1/20 0.45
▸ QPCTL Q9NXS2 1/20 0.45
▸ EPHX2 P34913 1/20 0.42
▸ F2 P00734 3/20 0.42
▸ PRSS1 P07477 3/20 0.42
▸ PRSS2 P07478 3/20 0.42
▸ PRSS3 P35030 3/20 0.42
▸ SLC6A5 Q9Y345 1/20 0.41
▸ SLC15A2 Q16348 1/20 0.40
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ITGB2 P05107 1/20 0.37
▸ ICAM1 P05362 1/20 0.37
▸ ITGAL P20701 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MC4R P32245 2/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL16819871 1.00 REN (0.45) RENQPCTQPCTLEPHX2F2
SCHEMBL20384898 0.91 EPHX2 (0.49) RENQPCTQPCTLEPHX2F2
SCHEMBL15412853 0.91 EPHX2 (0.49) RENQPCTQPCTLEPHX2F2
SCHEMBL15426847 0.90 QPCT (0.45) RENQPCTQPCTLEPHX2F2
SCHEMBL15426877 0.90 REN (0.49) RENEPHX2SLC6A5SLC15A2CYP3A4
SCHEMBL16819890 0.90 REN (0.49) RENEPHX2SLC6A5SLC15A2CYP3A4
SCHEMBL15426864 0.90 REN (0.49) RENEPHX2SLC6A5SLC15A2CYP3A4
SCHEMBL15412497 0.90 QPCT (0.44) RENQPCTQPCTLEPHX2F2
SCHEMBL15412499 0.90 QPCT (0.44) RENQPCTQPCTLEPHX2F2
Hydrochloric Acid SCHEMBL16819883 0.89 REN (0.48) RENEPHX2SLC6A5SLC15A2CYP3A4

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
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-9593079-B2 Stabilized multi-functional antioxidant compounds and methods of use XPD HOLDINGS, LLC (US) 2017-03-14 — — US claimed
US-9382211-B2 Stabilized multi-functional antioxidant compounds and methods of use XPD HOLDINGS, LLC (US) 2016-07-05 — — US claimed
US-20160185718-A1 Stabilized Multi-Functional Antioxidant Compounds and Methods of Use XPD HOLDINGS, LLC 2016-06-30 — — 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-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-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 REN 1071/4885QPCT 2950/4885QPCTL 4143/4885
US-20150175552-A1 STABILIZED MULTI-FUNCTIONAL ANTIOXIDANT COMPOUNDS AND METHODS OF USE SOD1, GPX4, SOD3 REN 1071/4885QPCT 2950/4885QPCTL 4143/4885
US-20170135986-A1 STABILIZED MULTI-FUNCTIONAL ANTIOXIDANT COMPOUNDS AND METHODS OF USE SOD1, GPX4, SOD3 REN 1071/4885QPCT 2950/4885QPCTL 4143/4885
US-20160185718-A1 Stabilized Multi-Functional Antioxidant Compounds and Methods of Use SOD1, GPX4, SOD3 REN 1071/4885QPCT 2950/4885QPCTL 4143/4885

“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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