SCHEMBL15412499

SCHEMBL15412499

COC(=O)C(CSC(=O)C(Cc1cnc[nH]1)NC(=O)CCNC(C)=O)NC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 1/20 0.44
▸ QPCTL Q9NXS2 1/20 0.44
▸ EPHX2 P34913 1/20 0.42
▸ SLC6A5 Q9Y345 1/20 0.41
▸ F2 P00734 3/20 0.40
▸ PRSS1 P07477 3/20 0.40
▸ PRSS2 P07478 3/20 0.40
▸ PRSS3 P35030 3/20 0.40
▸ CCR2 P41597 2/20 0.40
▸ HTR1D P28221 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ HTR1E P28566 2/20 0.38
▸ HTR2B P41595 2/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ SLC15A2 Q16348 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ REN P00797 2/20 0.37
▸ PDE5A O76074 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ ITGB2 P05107 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
SCHEMBL15412497 1.00 QPCT (0.44) QPCTQPCTLEPHX2SLC6A5F2
SCHEMBL15412853 0.90 EPHX2 (0.49) QPCTQPCTLEPHX2SLC6A5F2
SCHEMBL20384898 0.90 EPHX2 (0.49) QPCTQPCTLEPHX2SLC6A5F2
SCHEMBL16819881 0.90 SLC15A2 (0.44) SLC6A5CCR2HTR1DHTR2CHTR1E
SCHEMBL16819871 0.90 REN (0.45) QPCTQPCTLEPHX2SLC6A5F2
SCHEMBL15426879 0.90 SLC15A2 (0.44) SLC6A5CCR2HTR1DHTR2CHTR1E
SCHEMBL15426873 0.90 REN (0.45) QPCTQPCTLEPHX2SLC6A5F2
SCHEMBL16819880 0.90 SLC15A2 (0.44) SLC6A5CCR2HTR1DHTR2CHTR1E
SCHEMBL16819849 0.89 SLC15A2 (0.46) EPHX2SLC6A5CCR2HTR1DHTR2C
Hydrochloric Acid SCHEMBL16819886 0.89 SLC15A2 (0.43) SLC6A5CCR2HTR1DHTR2CHTR1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9382211-B2 Stabilized multi-functional antioxidant compounds and methods of use XPD HOLDINGS, LLC (US) 2016-07-05 — — 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 (3 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

“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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