SCHEMBL20950984

SCHEMBL20950984

CNC(=O)C(C)(C)NC(=O)C(CCCNC(=O)O)NC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 4/20 0.35
▸ MMP3 P08254 4/20 0.35
▸ MMP9 P14780 4/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ SIRT6 Q8N6T7 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.30
▸ FOLH1 Q04609 1/20 0.30
▸ RRM1 P23921 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
SCHEMBL20951772 0.92 SIRT6 (0.40) MMP1MMP3MMP9MEN1GAA
SCHEMBL23461405 0.84 SIRT6 (0.35) MEN1GAAKMT2ACTSSCTSK
SCHEMBL20952017 0.84 SIRT6 (0.35) MEN1GAAKMT2ACTSSCTSK
SCHEMBL20951241 0.82 DPP7 (0.42) MEN1GAAKMT2AKDM4CRRM1
SCHEMBL22127960 0.80 SIRT1 (0.40) MEN1GAAKMT2ACTSSCTSK
SCHEMBL19115851 0.77 SIRT1 (0.42) MMP1MMP3SIRT6SIRT1FOLH1
SCHEMBL20951013 0.77 SIRT6 (0.44) MEN1KMT2ASIRT6SIRT1FOLH1
SCHEMBL22367119 0.76 MEN1 (0.31) MEN1GAAKMT2ACTSSCTSK
SCHEMBL23460349 0.75 SIRT6 (0.34) MEN1GAAKMT2ACTSSCTSK
SCHEMBL22026752 0.74 EPHX1 (0.39) MEN1GAAKMT2ACTSSCTSK

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 MMP1 116/4885MMP3 179/4885MMP9 225/4885
US-11046729-B2 Dipeptide analogs as TGF-beta inhibitors TGFB1, TGFB2, SMAD3 MMP1 116/4885MMP3 179/4885MMP9 225/4885

“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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