SCHEMBL20951013

SCHEMBL20951013

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ SIRT5 Q9NXA8 4/20 0.43
▸ GNPAT O15228 2/20 0.39
▸ FOLH1 Q04609 1/20 0.37
▸ CA1 P00915 5/20 0.37
▸ CA2 P00918 5/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALB P02768 3/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ KISS1R Q969F8 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL20952017 0.92 SIRT6 (0.35) SIRT6SIRT1SIRT5GNPATFOLH1
SCHEMBL23461405 0.92 SIRT6 (0.35) SIRT6SIRT1SIRT5GNPATFOLH1
SCHEMBL20951772 0.85 SIRT6 (0.40) SIRT6SIRT1SIRT5GNPATFOLH1
SCHEMBL20951496 0.83 SIRT6 (0.48) SIRT6SIRT1SIRT5GNPATFOLH1
SCHEMBL20951608 0.83 SIRT6 (0.48) SIRT6SIRT1SIRT5GNPATFOLH1
SCHEMBL20951495 0.83 SIRT6 (0.48) SIRT6SIRT1SIRT5GNPATFOLH1
SCHEMBL20951789 0.80 DPP7 (0.44) MEN1KMT2A
SCHEMBL23461381 0.80 NPY1R (0.48) —
SCHEMBL23460325 0.80 NPY1R (0.48) —
SCHEMBL22367103 0.80 SIRT6 (0.43) SIRT6SIRT1SIRT5GNPATFOLH1

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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