SCHEMBL25000070

SCHEMBL25000070

CCC(C)(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCOCCN)C(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 9/20 0.38
▸ SIRT1 Q96EB6 8/20 0.38
▸ SIRT3 Q9NTG7 4/20 0.38
▸ CHRNA1 P02708 1/20 0.37
▸ CHRNG P07510 1/20 0.37
▸ CHRNB1 P11230 1/20 0.37
▸ CHRND Q07001 1/20 0.37
▸ FURIN P09958 3/20 0.37
▸ HTT P42858 1/20 0.37
▸ SIRT5 Q9NXA8 1/20 0.37
▸ MAP1LC3B Q9GZQ8 2/20 0.36
▸ FAP Q12884 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
SCHEMBL19387330 0.93 SIRT5 (0.38) SIRT2SIRT1SIRT3CHRNA1CHRNG
SCHEMBL25615822 0.91 SIRT5 (0.41) SIRT2SIRT1SIRT3CHRNA1CHRNG
SCHEMBL18823533 0.90 CHRNA1 (0.38) SIRT2SIRT1SIRT3CHRNA1CHRNG
SCHEMBL19687790 0.90 SIRT5 (0.39) SIRT2SIRT1SIRT3CHRNA1CHRNG
SCHEMBL15699830 0.90 SIRT5 (0.39) SIRT2SIRT1SIRT3CHRNA1CHRNG
SCHEMBL21466014 0.88 SIRT2 (0.41) SIRT2SIRT1SIRT3FURINHTT
SCHEMBL26257331 0.87 SIRT2 (0.36) SIRT2SIRT1SIRT3FURINHTT
SCHEMBL22668658 0.87 FAP (0.41) SIRT2SIRT1SIRT3FURINSIRT5
SCHEMBL24296990 0.87 FURIN (0.40) SIRT2SIRT1SIRT3CHRNA1CHRNG
SCHEMBL20616684 0.87 SIRT5 (0.38) SIRT2SIRT1SIRT3FURINHTT

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-20230043447-A1 PEPTIDE-CONTAINING LINKERS FOR ANTIBODY-DRUG CONJUGATES MERSANA THERAPEUTICS, INC. 2023-02-09 — — 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-20230043447-A1 PEPTIDE-CONTAINING LINKERS FOR ANTIBODY-DRUG CONJUGATES CD2BP2, DNPEP, LNPEP SIRT2 3975/4885SIRT1 4075/4885SIRT3 4064/4885

“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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