SCHEMBL23335145

SCHEMBL23335145

CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)CN[C@@H](CCCCN=[N+]=[N-])C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.41
▸ SIRT5 Q9NXA8 2/20 0.39
▸ NPY4R P50391 9/20 0.38
▸ NPY1R P25929 6/20 0.38
▸ NPY2R P49146 5/20 0.38
▸ NPY5R Q15761 5/20 0.38
▸ FURIN P09958 7/20 0.38
▸ TFPI P10646 1/20 0.35

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
SCHEMBL23335231 0.91 SIRT6 (0.47) SIRT6SIRT1SIRT5NPY4RNPY1R
SCHEMBL23335237 0.87 TLR2 (0.45) SIRT6SIRT1SIRT5NPY4RNPY1R
SCHEMBL23335144 0.86 FURIN (0.47) SIRT6SIRT1SIRT5NPY4RNPY1R
SCHEMBL23335236 0.85 SIRT6 (0.44) SIRT6SIRT1SIRT5NPY4RNPY1R
SCHEMBL30447227 0.82 SIRT6 (0.47) SIRT6SIRT1SIRT5FURIN
SCHEMBL23335233 0.82 SIRT6 (0.47) SIRT6SIRT1SIRT5FURIN
SCHEMBL29626768 0.81 SIRT6 (0.57) SIRT6SIRT1SIRT5NPY4RNPY1R
SCHEMBL31024641 0.81 SIRT6 (0.57) SIRT6SIRT1SIRT5NPY4RNPY1R
SCHEMBL23335238 0.78 SLC15A2 (0.49) SIRT1NPY4RNPY2R
SCHEMBL23335143 0.76 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RFURIN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210128743-A1 TRANSGLUTAMINASE CONJUGATION METHOD AND LINKER PAUL SCHERRER INSTITUT (CH) 2021-05-06 — — 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 (1 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-20210128743-A1 TRANSGLUTAMINASE CONJUGATION METHOD AND LINKER TGM3, TGM2, TGM1 SIRT6 3856/4885SIRT1 4244/4885SIRT5 2252/4885

“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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