SCHEMBL15426866

SCHEMBL15426866

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 1/20 0.47
▸ QPCTL Q9NXS2 1/20 0.47
▸ SLC15A2 Q16348 1/20 0.46
▸ EPHX2 P34913 1/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SLC6A5 Q9Y345 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ F2 P00734 3/20 0.41
▸ PRSS1 P07477 3/20 0.41
▸ PRSS2 P07478 3/20 0.41
▸ PRSS3 P35030 3/20 0.41
▸ CPB2 Q96IY4 1/20 0.41
▸ HPGD P15428 1/20 0.39
▸ ITGB2 P05107 2/20 0.39
▸ ICAM1 P05362 2/20 0.39
▸ ITGAL P20701 2/20 0.39
▸ HRH4 Q9H3N8 2/20 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
SCHEMBL16819872 1.00 QPCT (0.47) QPCTQPCTLSLC15A2EPHX2CYP3A4
SCHEMBL16819846 0.88 SLC15A2 (0.52) SLC15A2EPHX2CYP3A4CYP2D6TSHR
SCHEMBL15426850 0.88 SLC15A2 (0.52) SLC15A2EPHX2CYP3A4CYP2D6TSHR
SCHEMBL15426897 0.87 SLC15A2 (0.53) SLC15A2EPHX2CYP3A4CYP2D6TSHR
SCHEMBL16819891 0.87 SLC15A2 (0.53) SLC15A2EPHX2CYP3A4CYP2D6TSHR
SCHEMBL15426873 0.85 REN (0.45) QPCTQPCTLSLC15A2EPHX2CYP3A4
SCHEMBL16819867 0.85 CYP3A4 (0.48) QPCTQPCTLSLC15A2EPHX2CYP3A4
SCHEMBL15426848 0.85 CYP3A4 (0.48) QPCTQPCTLSLC15A2EPHX2CYP3A4
SCHEMBL16819871 0.85 REN (0.45) QPCTQPCTLSLC15A2EPHX2CYP3A4
SCHEMBL15426847 0.85 QPCT (0.45) QPCTQPCTLSLC15A2EPHX2CYP3A4

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 17 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-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 4143/4885SLC15A2 2163/4885
US-20150175552-A1 STABILIZED MULTI-FUNCTIONAL ANTIOXIDANT COMPOUNDS AND METHODS OF USE SOD1, GPX4, SOD3 QPCT 2950/4885QPCTL 4143/4885SLC15A2 2163/4885
US-20170135986-A1 STABILIZED MULTI-FUNCTIONAL ANTIOXIDANT COMPOUNDS AND METHODS OF USE SOD1, GPX4, SOD3 QPCT 2950/4885QPCTL 4143/4885SLC15A2 2163/4885
US-20160185718-A1 Stabilized Multi-Functional Antioxidant Compounds and Methods of Use SOD1, GPX4, SOD3 QPCT 2950/4885QPCTL 4143/4885SLC15A2 2163/4885

“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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