SCHEMBL21784545

SCHEMBL21784545

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 11/20 0.42
SIRT1 Q96EB6 10/20 0.42
SIRT3 Q9NTG7 3/20 0.42
SIRT5 Q9NXA8 3/20 0.42
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
TGM2 P21980 1/20 0.37
HTT P42858 1/20 0.37
NPY1R P25929 1/20 0.37
NPY4R P50391 1/20 0.37

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
SCHEMBL21784542 0.92 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5CA1
SCHEMBL24822727 0.89 SIRT2 (0.44) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL18823483 0.89 SIRT2 (0.43) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL18822244 0.88 SIRT2 (0.40) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL24451192 0.87 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL24471964 0.87 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5
SCHEMBL25098213 0.87 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL21318749 0.87 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL20283603 0.87 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL19485764 0.87 FURIN (0.44) SIRT2SIRT1SIRT3SIRT5HTT

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-11666657-B2 Protein-drug conjugates and their use in the treatment of cancers UNIVERSITE DE STRASBOURG (FR) 2023-06-06 US disclosed
US-20200069815-A1 PROTEIN-DRUG CONJUGATES AND THEIR USE IN THE TREATMENT OF CANCERS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-03-05 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-11666657-B2 Protein-drug conjugates and their use in the treatment of cancers RCE1, MTTP, LYPLA1 SIRT2 2551/4885SIRT1 2552/4885SIRT3 2269/4885
US-20200069815-A1 PROTEIN-DRUG CONJUGATES AND THEIR USE IN THE TREATMENT OF CANCERS RCE1, MTTP, LYPLA1 SIRT2 2551/4885SIRT1 2552/4885SIRT3 2269/4885

“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.