SCHEMBL20952017

SCHEMBL20952017

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ SIRT5 Q9NXA8 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ FOLH1 Q04609 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ NOD1 Q9Y239 2/20 0.33
▸ C3AR1 Q16581 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.31
▸ FNTA P49354 3/20 0.31
▸ FNTB P49356 3/20 0.31
▸ PGGT1B P53609 3/20 0.31
▸ RRM1 P23921 1/20 0.31
▸ NPY1R P25929 1/20 0.30
▸ GNPAT O15228 1/20 0.30
▸ CPB2 Q96IY4 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
SCHEMBL23461405 1.00 SIRT6 (0.35) SIRT6SIRT1SIRT5MEN1GAA
SCHEMBL20951013 0.92 SIRT6 (0.44) SIRT6SIRT1SIRT5MEN1KMT2A
SCHEMBL20950984 0.84 MMP1 (0.35) SIRT6SIRT1MEN1GAAKMT2A
SCHEMBL20951789 0.82 DPP7 (0.44) MEN1GAAKMT2ANOD1KDM4C
SCHEMBL23461381 0.82 NPY1R (0.48) CTSSC3AR1NPY1R
SCHEMBL23460325 0.82 NPY1R (0.48) CTSSC3AR1NPY1R
SCHEMBL22127960 0.81 SIRT1 (0.40) SIRT6SIRT1SIRT5MEN1GAA
SCHEMBL23460349 0.79 SIRT6 (0.34) SIRT6SIRT1SIRT5MEN1GAA
SCHEMBL20951772 0.77 SIRT6 (0.40) SIRT6SIRT1SIRT5MEN1GAA
SCHEMBL20951273 0.76 SIRT5 (0.41) SIRT6SIRT1SIRT5FOLH1NOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046729-B2 Dipeptide analogs as TGF-beta inhibitors SOUTHERN RESEARCH INSTITUTE (US) 2021-06-29 — — US disclosed
EP-3700545-A1 DIPEPTIDE ANALOGS AS TGF-BETA INHIBITORS Southern Research Institute (US) 2020-09-02 — — EP disclosed
US-20190127420-A1 DIPEPTIDE ANALOGS AS TGF-BETA INHIBITORS UAB RESEARCH FOUNDATION 2019-05-02 — — 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-20190127420-A1 DIPEPTIDE ANALOGS AS TGF-BETA INHIBITORS TGFB1, TGFB2, SMAD3 SIRT6 2383/4885SIRT1 1578/4885SIRT5 2054/4885
US-11046729-B2 Dipeptide analogs as TGF-beta inhibitors TGFB1, TGFB2, SMAD3 SIRT6 2383/4885SIRT1 1578/4885SIRT5 2054/4885

“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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