SCHEMBL24178267

SCHEMBL24178267

CSCCC[C@H](NC(=O)[C@H](CCSC)NC(C)=O)C(=O)N[C@H](C=O)CCCNC(=N)N

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 2/20 0.38
▸ SIRT6 Q8N6T7 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ NPY4R P50391 7/20 0.36
▸ NPY1R P25929 5/20 0.36
▸ NPY2R P49146 3/20 0.35
▸ NPY5R Q15761 3/20 0.35
▸ BACE1 P56817 3/20 0.35
▸ TSHR P16473 1/20 0.34
▸ FNTA P49354 2/20 0.34
▸ FNTB P49356 2/20 0.34
▸ PGGT1B P53609 2/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ CTSD P07339 1/20 0.34

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
SCHEMBL24178180 0.91 BACE1 (0.44) NPY4RNPY1RNPY2RNPY5RBACE1
SCHEMBL24178182 0.91 BACE1 (0.44) NPY4RNPY1RNPY2RNPY5RBACE1
SCHEMBL10029497 0.90 SIRT5 (0.44) SIRT5SIRT6SIRT1NPY4RNPY1R
SCHEMBL20864155 0.90 SIRT5 (0.44) SIRT5SIRT6SIRT1NPY4RNPY1R
SCHEMBL24178268 0.86 FNTA (0.47) NPY4RNPY1RNPY2RNPY5RFNTA
SCHEMBL31279889 0.85 FNTA (0.47) SIRT5FNTAFNTBPGGT1B
SCHEMBL3928619 0.85 FNTA (0.47) SIRT5FNTAFNTBPGGT1B
SCHEMBL18328778 0.84 NPY4R (0.40) SIRT5SIRT6SIRT1NPY4RNPY1R
SCHEMBL18328775 0.84 NPY4R (0.40) SIRT5SIRT6SIRT1NPY4RNPY1R
SCHEMBL21481064 0.83 SIRT6 (0.38) SIRT5SIRT6SIRT1NPY4RNPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912742-B2 Heterologous production of leupeptin protease inhibitors and analogs thereof YALE UNIVERSITY (US) 2024-02-27 — — US disclosed
US-20220002354-A1 HETEROLOGOUS PRODUCTION OF LEUPEPTIN PROTEASE INHIBITORS AND ANALOGS THEREOF YALE UNIVERSITY 2022-01-06 — — 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-11912742-B2 Heterologous production of leupeptin protease inhibitors and analogs thereof LPXN, LAP3, PEPD SIRT5 2659/4885SIRT6 1384/4885SIRT1 1933/4885
US-20220002354-A1 HETEROLOGOUS PRODUCTION OF LEUPEPTIN PROTEASE INHIBITORS AND ANALOGS THEREOF LPXN, LAP3, PEPD SIRT5 2659/4885SIRT6 1384/4885SIRT1 1933/4885

“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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