SCHEMBL21097236

SCHEMBL21097236

C[C@@H](NC(=O)CCCC(=O)ON1C(=O)CCC1=O)C(O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)Nc1ccc(COC(N)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 4/20 0.40
▸ SIRT2 Q8IXJ6 3/20 0.40
▸ SIRT5 Q9NXA8 2/20 0.40
▸ KLK7 P49862 2/20 0.39
▸ KLK5 Q9Y337 2/20 0.39
▸ PSMB5 P28074 3/20 0.39
▸ PSMB8 P28062 1/20 0.39
▸ PSMB9 P28065 1/20 0.39
▸ PSMB1 P20618 2/20 0.38
▸ PSMB2 P49721 2/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ HTRA1 Q92743 1/20 0.38

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
SCHEMBL25863476 0.92 PSMB5 (0.44) SIRT1SIRT2SIRT5KLK7KLK5
SCHEMBL25863358 0.81 SIRT5 (0.52) SIRT1SIRT2SIRT5PSMB5PSMB8
SCHEMBL21097237 0.79 PSMB8 (0.49) SIRT1SIRT2SIRT5PSMB5PSMB8
SCHEMBL18774075 0.79 SIRT2 (0.50) SIRT1SIRT2SIRT5KLK7KLK5
SCHEMBL18752309 0.78 SIRT2 (0.49) SIRT1SIRT2SIRT5KLK7KLK5
SCHEMBL21097238 0.78 SIRT5 (0.49) SIRT1SIRT2SIRT5PSMB5PSMB8
SCHEMBL12285322 0.76 SIRT2 (0.49) SIRT1SIRT2SIRT5PSMB5PSMB8
SCHEMBL18770780 0.74 KLK7 (0.53) SIRT1SIRT2KLK7KLK5
SCHEMBL18782520 0.74 KLK7 (0.53) SIRT1SIRT2KLK7KLK5
SCHEMBL18770781 0.74 KLK7 (0.53) SIRT1SIRT2KLK7KLK5

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-20230144799-A1 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR EphA2 BICYCLETX LIMITED (GB) 2023-05-11 — — US disclosed
US-20190184025-A1 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR EphA2 BICYCLETX LIMITED (GB) 2019-06-20 — — 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-20190184025-A1 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR EphA2 EPHA2, EPHB2, ERBB2 SIRT1 4761/4885SIRT2 4291/4885SIRT5 4536/4885
US-20230144799-A1 BICYCLIC PEPTIDE LIGANDS SPECIFIC FOR EphA2 EPHA2, EPHB2, ERBB2 SIRT1 4761/4885SIRT2 4291/4885SIRT5 4536/4885

“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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