SCHEMBL20798913

SCHEMBL20798913

CCC(=O)NC(C(=O)N[C@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)C(C)(C)C)cc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 10/20 0.42
▸ SIRT1 Q96EB6 9/20 0.42
▸ SIRT3 Q9NTG7 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ FURIN P09958 2/20 0.41
▸ SIRT5 Q9NXA8 2/20 0.40
▸ NPY1R P25929 2/20 0.38
▸ NPY2R P49146 2/20 0.38
▸ NPY4R P50391 2/20 0.38
▸ NPY5R Q15761 2/20 0.38
▸ MAP1LC3B Q9GZQ8 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
SCHEMBL20798925 0.93 SIRT2 (0.41) SIRT2SIRT1SIRT3HTTFURIN
SCHEMBL18823535 0.93 SIRT2 (0.41) SIRT2SIRT1SIRT3HTTFURIN
SCHEMBL18495613 0.92 SIRT2 (0.40) SIRT2SIRT1SIRT3HTTFURIN
SCHEMBL19450610 0.92 SIRT2 (0.40) SIRT2SIRT1SIRT3HTTFURIN
SCHEMBL24068330 0.92 SIRT2 (0.46) SIRT2SIRT1SIRT3HTTFURIN
SCHEMBL24068203 0.92 SIRT2 (0.46) SIRT2SIRT1SIRT3HTTFURIN
SCHEMBL20798918 0.91 SIRT2 (0.42) SIRT2SIRT1SIRT3HTTFURIN
SCHEMBL24450761 0.91 SIRT2 (0.42) SIRT2SIRT1SIRT3HTTFURIN
SCHEMBL20798866 0.91 FURIN (0.40) SIRT2SIRT1SIRT3HTTFURIN
SCHEMBL22541149 0.91 SIRT2 (0.41) SIRT2SIRT1SIRT3HTTFURIN

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-10226535-B2 Auristatin compounds and conjugates thereof MERSANA THERAPEUTICS, INC. (US) 2019-03-12 — — 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-10226535-B2 Auristatin compounds and conjugates thereof PBRM1, AURKB, ILK SIRT2 808/4885SIRT1 756/4885SIRT3 980/4885

“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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