SCHEMBL15426850

SCHEMBL15426850

NCCSC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC15A2 Q16348 1/20 0.52
▸ CYP3A4 P08684 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ CPB2 Q96IY4 1/20 0.46
▸ SLC6A5 Q9Y345 1/20 0.46
▸ ITGB2 P05107 3/20 0.46
▸ ICAM1 P05362 3/20 0.46
▸ ITGAL P20701 3/20 0.46
▸ SLC7A5 Q01650 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ HRH4 Q9H3N8 3/20 0.40
▸ HRH3 Q9Y5N1 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GLA P06280 1/20 0.40

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
SCHEMBL16819846 1.00 SLC15A2 (0.52) SLC15A2CYP3A4TSHRCYP2D6CYP2C19
SCHEMBL15426897 0.94 SLC15A2 (0.53) SLC15A2CYP3A4TSHRCYP2D6CYP2C19
SCHEMBL16819891 0.94 SLC15A2 (0.53) SLC15A2CYP3A4TSHRCYP2D6CYP2C19
SCHEMBL15426866 0.88 QPCT (0.47) SLC15A2CYP3A4TSHRCYP2D6CYP2C19
SCHEMBL16819872 0.88 QPCT (0.47) SLC15A2CYP3A4TSHRCYP2D6CYP2C19
SCHEMBL15426880 0.85 SLC15A2 (0.48) SLC15A2CYP3A4TSHRCYP2D6CYP2C19
SCHEMBL15426863 0.85 CYP3A4 (0.53) SLC15A2CYP3A4TSHRCYP2D6CYP2C19
SCHEMBL16819868 0.85 CYP3A4 (0.53) SLC15A2CYP3A4TSHRCYP2D6CYP2C19
Carnosine SCHEMBL22392772 0.84 SLC15A2 (0.63) SLC15A2CYP3A4TSHRCYP2D6CYP2C19
Carnosine SCHEMBL1160796 0.84 SLC15A2 (0.63) SLC15A2CYP3A4TSHRCYP2D6CYP2C19

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 16 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-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 SLC15A2 2163/4885CYP3A4 3558/4885TSHR 4727/4885
US-20150175552-A1 STABILIZED MULTI-FUNCTIONAL ANTIOXIDANT COMPOUNDS AND METHODS OF USE SOD1, GPX4, SOD3 SLC15A2 2163/4885CYP3A4 3558/4885TSHR 4727/4885
US-20170135986-A1 STABILIZED MULTI-FUNCTIONAL ANTIOXIDANT COMPOUNDS AND METHODS OF USE SOD1, GPX4, SOD3 SLC15A2 2163/4885CYP3A4 3558/4885TSHR 4727/4885
US-20160185718-A1 Stabilized Multi-Functional Antioxidant Compounds and Methods of Use SOD1, GPX4, SOD3 SLC15A2 2163/4885CYP3A4 3558/4885TSHR 4727/4885

“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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