SCHEMBL20951744

SCHEMBL20951744

CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FURIN P09958 8/20 0.52
PCSK6 P29122 1/20 0.52
SIRT6 Q8N6T7 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
SIRT5 Q9NXA8 2/20 0.47
ALDH1A1 P00352 1/20 0.46
ERAP2 Q6P179 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
LNPEP Q9UIQ6 1/20 0.46
KISS1R Q969F8 1/20 0.43
NMT2 O60551 1/20 0.43
NMT1 P30419 1/20 0.43
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
HPN P05981 1/20 0.42
HGFAC Q04756 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42
OPRK1 P41145 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL20951745 1.00 FURIN (0.52) FURINPCSK6SIRT6SIRT1SIRT5
SCHEMBL20951592 0.96 FURIN (0.48) FURINPCSK6SIRT6SIRT1SIRT5
SCHEMBL20951590 0.96 FURIN (0.48) FURINPCSK6SIRT6SIRT1SIRT5
SCHEMBL20965523 0.94 SIRT6 (0.52) FURINPCSK6SIRT6SIRT1SIRT5
SCHEMBL16507920 0.92 FURIN (0.51) FURINPCSK6SIRT6SIRT1SIRT5
SCHEMBL20965281 0.90 FURIN (0.48) FURINPCSK6SIRT6SIRT1SIRT5
SCHEMBL16259360 0.89 NMT2 (0.53) FURINPCSK6SIRT6SIRT1SIRT5
SCHEMBL16234715 0.89 NMT2 (0.53) FURINPCSK6SIRT6SIRT1SIRT5
SCHEMBL16259340 0.89 NMT2 (0.53) FURINPCSK6SIRT6SIRT1SIRT5
SCHEMBL16259323 0.89 NMT2 (0.53) FURINPCSK6SIRT6SIRT1SIRT5

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 5 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
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
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 FURIN 1051/4885PCSK6 2898/4885SIRT6 2383/4885
US-11046729-B2 Dipeptide analogs as TGF-beta inhibitors TGFB1, TGFB2, SMAD3 FURIN 1051/4885PCSK6 2898/4885SIRT6 2383/4885

“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.