SCHEMBL17866301

SCHEMBL17866301

CCC(=O)NC(CSC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCNC(C)=O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.49
▸ EPHX2 P34913 1/20 0.48
▸ QPCT Q16769 1/20 0.44
▸ QPCTL Q9NXS2 1/20 0.44
▸ SLC15A2 Q16348 1/20 0.43
▸ ITGB2 P05107 3/20 0.42
▸ ICAM1 P05362 3/20 0.42
▸ ITGAL P20701 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ FAAH O00519 2/20 0.39
▸ CNR1 P21554 2/20 0.39
▸ CNR2 P34972 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ F2 P00734 2/20 0.38
▸ PRSS1 P07477 2/20 0.38
▸ PRSS2 P07478 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
SCHEMBL20384898 0.94 EPHX2 (0.49) SLC6A5EPHX2QPCTQPCTLSLC15A2
SCHEMBL15412853 0.94 EPHX2 (0.49) SLC6A5EPHX2QPCTQPCTLSLC15A2
SCHEMBL16819869 0.89 EPHX2 (0.45) SLC6A5EPHX2QPCTQPCTLSLC15A2
SCHEMBL15426848 0.88 CYP3A4 (0.48) SLC6A5EPHX2QPCTQPCTLSLC15A2
SCHEMBL16819867 0.88 CYP3A4 (0.48) SLC6A5EPHX2QPCTQPCTLSLC15A2
SCHEMBL3057446 0.86 EPHX2 (0.60) SLC6A5EPHX2QPCTQPCTLSLC15A2
SCHEMBL29615190 0.86 EPHX2 (0.60) SLC6A5EPHX2QPCTQPCTLSLC15A2
SCHEMBL27675779 0.86 EPHX2 (0.60) SLC6A5EPHX2QPCTQPCTLSLC15A2
SCHEMBL16819871 0.86 REN (0.45) SLC6A5EPHX2QPCTQPCTLSLC15A2
SCHEMBL15426873 0.86 REN (0.45) SLC6A5EPHX2QPCTQPCTLSLC15A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593079-B2 Stabilized multi-functional antioxidant compounds and methods of use XPD HOLDINGS, LLC (US) 2017-03-14 — — US disclosed
US-20160185718-A1 Stabilized Multi-Functional Antioxidant Compounds and Methods of Use XPD HOLDINGS, LLC 2016-06-30 — — 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 (1 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-20160185718-A1 Stabilized Multi-Functional Antioxidant Compounds and Methods of Use SOD1, GPX4, SOD3 SLC6A5 3930/4885EPHX2 3420/4885QPCT 2950/4885

“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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