SCHEMBL15426847

SCHEMBL15426847

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ CYP3A4 P08684 1/20 0.40
▸ SLC7A5 Q01650 1/20 0.40
▸ SLC15A2 Q16348 1/20 0.40
▸ REN P00797 2/20 0.40
▸ HRH4 Q9H3N8 2/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ NFKB1 P19838 1/20 0.38

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
SCHEMBL15426848 0.92 CYP3A4 (0.48) QPCTQPCTLEPHX2F2PRSS1
SCHEMBL16819867 0.92 CYP3A4 (0.48) QPCTQPCTLEPHX2F2PRSS1
SCHEMBL16819871 0.90 REN (0.45) QPCTQPCTLEPHX2F2PRSS1
SCHEMBL15426873 0.90 REN (0.45) QPCTQPCTLEPHX2F2PRSS1
SCHEMBL15426880 0.87 SLC15A2 (0.48) EPHX2SLC6A5CYP3A4SLC7A5SLC15A2
SCHEMBL16819869 0.86 EPHX2 (0.45) QPCTQPCTLEPHX2F2PRSS1
SCHEMBL15426859 0.86 SLC15A2 (0.49) EPHX2SLC6A5CYP3A4SLC7A5SLC15A2
SCHEMBL20384898 0.85 EPHX2 (0.49) QPCTQPCTLEPHX2F2PRSS1
SCHEMBL15412853 0.85 EPHX2 (0.49) QPCTQPCTLEPHX2F2PRSS1
SCHEMBL15426866 0.85 QPCT (0.47) QPCTQPCTLEPHX2F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 QPCT 2950/4885QPCTL 4143/4885EPHX2 3420/4885
US-20150175552-A1 STABILIZED MULTI-FUNCTIONAL ANTIOXIDANT COMPOUNDS AND METHODS OF USE SOD1, GPX4, SOD3 QPCT 2950/4885QPCTL 4143/4885EPHX2 3420/4885
US-20170135986-A1 STABILIZED MULTI-FUNCTIONAL ANTIOXIDANT COMPOUNDS AND METHODS OF USE SOD1, GPX4, SOD3 QPCT 2950/4885QPCTL 4143/4885EPHX2 3420/4885
US-20160185718-A1 Stabilized Multi-Functional Antioxidant Compounds and Methods of Use SOD1, GPX4, SOD3 QPCT 2950/4885QPCTL 4143/4885EPHX2 3420/4885

“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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