SCHEMBL23680473

SCHEMBL23680473

CC(C)[C@H](NC(=O)OCCS(C)(C)C)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.40
▸ FURIN P09958 3/20 0.40
▸ SIRT2 Q8IXJ6 8/20 0.39
▸ SIRT1 Q96EB6 7/20 0.39
▸ SIRT3 Q9NTG7 3/20 0.39
▸ SIRT5 Q9NXA8 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALDH1A1 P00352 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
SCHEMBL23286090 0.89 HTT (0.41) HTTFURINSIRT2SIRT1SIRT3
SCHEMBL31713913 0.88 FURIN (0.44) HTTFURINSIRT2SIRT1SIRT3
SCHEMBL20729885 0.87 HTT (0.39) HTTFURINSIRT2SIRT1SIRT3
SCHEMBL22387920 0.85 SIRT2 (0.55) SIRT2SIRT1SIRT3SIRT5
SCHEMBL13814439 0.85 SIRT2 (0.55) SIRT2SIRT1SIRT3SIRT5
SCHEMBL29335408 0.85 HTT (0.41) HTTFURINSIRT2SIRT1SIRT3
SCHEMBL17902993 0.84 CA2 (0.46) HTTFURINSIRT5
SCHEMBL12283259 0.84 CA2 (0.46) HTTFURINSIRT5
SCHEMBL20158426 0.84 CA2 (0.46) HTTFURINSIRT5
SCHEMBL14012279 0.84 CA2 (0.46) HTTFURINSIRT5

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-20210230218-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREOF MABPLEX INTERNATIONAL, LTD. (CN) 2021-07-29 — — 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-20210230218-A1 OLIGOPEPTIDE LINKER INTERMEDIATE AND PREPARATION METHOD THEREOF VIP, DNPEP, PREP HTT 851/4885FURIN 15/4885SIRT2 3512/4885

“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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