SCHEMBL15426864

SCHEMBL15426864

CC(=O)NC(CSC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCN)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 4/20 0.49
▸ SLC15A2 Q16348 1/20 0.46
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ SLC6A5 Q9Y345 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ ITGB2 P05107 3/20 0.40
▸ ICAM1 P05362 3/20 0.40
▸ ITGAL P20701 3/20 0.40
▸ CPB2 Q96IY4 1/20 0.40
▸ ACE2 Q9BYF1 1/20 0.40
▸ SCN9A Q15858 2/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HRH4 Q9H3N8 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
SCHEMBL16819890 1.00 REN (0.49) RENSLC15A2CYP3A4CYP2D6TSHR
SCHEMBL15426877 1.00 REN (0.49) RENSLC15A2CYP3A4CYP2D6TSHR
Hydrochloric Acid SCHEMBL16819883 0.99 REN (0.48) RENSLC15A2CYP3A4CYP2D6TSHR
Hydrochloric Acid SCHEMBL16819864 0.99 REN (0.48) RENSLC15A2CYP3A4CYP2D6TSHR
SCHEMBL16819866 0.95 SLC15A2 (0.47) RENSLC15A2CYP3A4CYP2D6TSHR
SCHEMBL15426895 0.95 SLC15A2 (0.47) RENSLC15A2CYP3A4CYP2D6TSHR
SCHEMBL16819850 0.92 SLC15A2 (0.52) RENSLC15A2CYP3A4CYP2D6TSHR
SCHEMBL16819854 0.92 SLC15A2 (0.52) RENSLC15A2CYP3A4CYP2D6TSHR
SCHEMBL15426873 0.90 REN (0.45) RENSLC15A2CYP3A4CYP2D6TSHR
SCHEMBL16819871 0.90 REN (0.45) RENSLC15A2CYP3A4CYP2D6TSHR

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 7 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 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-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
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 1071/4885SLC15A2 2163/4885CYP3A4 3558/4885
US-20150175552-A1 STABILIZED MULTI-FUNCTIONAL ANTIOXIDANT COMPOUNDS AND METHODS OF USE SOD1, GPX4, SOD3 REN 1071/4885SLC15A2 2163/4885CYP3A4 3558/4885
US-20170135986-A1 STABILIZED MULTI-FUNCTIONAL ANTIOXIDANT COMPOUNDS AND METHODS OF USE SOD1, GPX4, SOD3 REN 1071/4885SLC15A2 2163/4885CYP3A4 3558/4885
US-20160185718-A1 Stabilized Multi-Functional Antioxidant Compounds and Methods of Use SOD1, GPX4, SOD3 REN 1071/4885SLC15A2 2163/4885CYP3A4 3558/4885

“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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