SCHEMBL25009841

SCHEMBL25009841

CC(C)[C@@H](NC(=O)CCCCCNC(=O)CBr)C(=O)N[C@H](CCCCNC(N)=O)C(=O)Nc1ccc(COC(=O)C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 12/20 0.42
▸ SIRT1 Q96EB6 9/20 0.42
▸ SIRT3 Q9NTG7 5/20 0.42
▸ SIRT5 Q9NXA8 3/20 0.41
▸ ROCK2 O75116 1/20 0.39
▸ FURIN P09958 2/20 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
SCHEMBL26319897 0.98 SIRT2 (0.40) SIRT2SIRT1SIRT3SIRT5ROCK2
SCHEMBL21230049 0.93 SIRT2 (0.43) SIRT2SIRT1SIRT3SIRT5ROCK2
SCHEMBL20864058 0.92 SIRT2 (0.43) SIRT2SIRT1SIRT3SIRT5FURIN
SCHEMBL24335319 0.92 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5ROCK2
SCHEMBL25830938 0.92 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5
SCHEMBL23330252 0.91 SIRT2 (0.40) SIRT2SIRT1SIRT3SIRT5
SCHEMBL23106472 0.91 SIRT2 (0.40) SIRT2SIRT1SIRT3SIRT5
SCHEMBL20841069 0.91 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5FURIN
SCHEMBL22138818 0.91 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5FURIN
SCHEMBL18911016 0.91 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5FURIN

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-20230037682-A1 BINDING MOLECULES AGAINST CD3 AND USES THEREOF NOVARTIS AG (CH) 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-20230037682-A1 BINDING MOLECULES AGAINST CD3 AND USES THEREOF CD2, CD4, CD14 SIRT2 4858/4885SIRT1 4829/4885SIRT3 4877/4885

“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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