SCHEMBL20950951

SCHEMBL20950951

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
FURIN P09958 2/20 0.42
PCSK6 P29122 1/20 0.42
SIRT5 Q9NXA8 2/20 0.41
KISS1R Q969F8 1/20 0.41
PTPN1 P18031 1/20 0.41
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
ERAP2 Q6P179 1/20 0.38
ERAP1 Q9NZ08 1/20 0.38
LNPEP Q9UIQ6 1/20 0.38
GNPAT O15228 1/20 0.38
HIF1A Q16665 1/20 0.37
CPA1 P15085 2/20 0.36
CPA2 P48052 2/20 0.36
CPA4 Q9UI42 2/20 0.36
CPB1 P15086 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36

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
SCHEMBL20950949 1.00 ALDH1A1 (0.50) ALDH1A1FURINPCSK6SIRT5KISS1R
SCHEMBL22367094 1.00 ALDH1A1 (0.50) ALDH1A1FURINPCSK6SIRT5KISS1R
SCHEMBL20965281 0.91 FURIN (0.48) ALDH1A1FURINPCSK6SIRT5KISS1R
SCHEMBL20965523 0.90 SIRT6 (0.52) ALDH1A1FURINPCSK6SIRT5KISS1R
SCHEMBL30493601 0.89 ALDH1A1 (0.58) ALDH1A1FURINPCSK6SIRT5KISS1R
SCHEMBL14932683 0.89 ALDH1A1 (0.58) ALDH1A1FURINPCSK6SIRT5KISS1R
SCHEMBL22367131 0.87 ALDH1A1 (0.53) ALDH1A1FURINPCSK6SIRT5KISS1R
SCHEMBL20951073 0.87 ALDH1A1 (0.53) ALDH1A1FURINPCSK6SIRT5KISS1R
SCHEMBL20951072 0.87 ALDH1A1 (0.53) ALDH1A1FURINPCSK6SIRT5KISS1R
SCHEMBL20951903 0.85 ALDH1A1 (0.49) ALDH1A1SIRT5KISS1RPTPN1ERAP2

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 ALDH1A1 3575/4885FURIN 1051/4885PCSK6 2898/4885
US-11046729-B2 Dipeptide analogs as TGF-beta inhibitors TGFB1, TGFB2, SMAD3 ALDH1A1 3575/4885FURIN 1051/4885PCSK6 2898/4885

“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.