SCHEMBL21284538

SCHEMBL21284538

COC(=O)C(CCCNC(=N)N=O)NC(=O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PDF Q9HBH1 1/20 0.32
▸ NPY4R P50391 2/20 0.32
▸ NPY1R P25929 1/20 0.32
▸ TGM2 P21980 1/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.31
▸ SIRT1 Q96EB6 1/20 0.31
▸ SIRT3 Q9NTG7 1/20 0.31
▸ ERAP1 Q9NZ08 1/20 0.30
▸ LNPEP Q9UIQ6 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30

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
SCHEMBL18464241 0.84 NPY4R (0.42) GRIA1MEN1GAAKMT2APDF
SCHEMBL18876681 0.80 CA1 (0.40) PDFERAP1LNPEPCA1CA2
Hydrochloric Acid SCHEMBL28675934 0.72 CTSK (0.43) ERAP1LNPEP
Hydrochloric Acid SCHEMBL28675933 0.72 CTSK (0.43) ERAP1LNPEP
SCHEMBL18880201 0.72 CA1 (0.38) PDFCA1CA2
SCHEMBL4552682 0.70 FOLH1 (0.40) GRIA1MEN1GAAKMT2ANPY4R
SCHEMBL1724846 0.70 FOLH1 (0.40) GRIA1MEN1GAAKMT2ANPY4R
SCHEMBL22460551 0.68 MEN1 (0.54) MEN1GAAKMT2ACA1CA2
SCHEMBL22460550 0.68 MEN1 (0.54) MEN1GAAKMT2ACA1CA2
SCHEMBL12989830 0.68 ALOX15 (0.40) MEN1KMT2ATGM2SIRT2SIRT1

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-10988444-B2 Antimicrobial compounds NEWSOUTH INNOVATIONS PTY LIMITED (AU) 2021-04-27 — — US disclosed
US-20190256466-A1 ANTIMICROBIAL COMPOUNDS NEWSOUTH INNOVATIONS PTY LIMITED (AU) 2019-08-22 — — 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 (2 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-20190256466-A1 ANTIMICROBIAL COMPOUNDS MPO, CFTR, MMP8 GRIA1 4245/4885MEN1 3424/4885GAA 294/4885
US-10988444-B2 Antimicrobial compounds MPO, CFTR, MMP8 GRIA1 4245/4885MEN1 3424/4885GAA 294/4885

“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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