SCHEMBL30744295

SCHEMBL30744295

CC(C)(C)OC(=O)NC(CCCNC(=O)OCc1ccccc1N=[N+]=[N-])C(=O)OC1COC(n2cnc3c(N)ncnc32)C1O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 3/20 0.46
▸ KLK5 Q9Y337 2/20 0.46
▸ DOT1L Q8TEK3 6/20 0.44
▸ PRKACA P17612 4/20 0.39
▸ ROCK2 O75116 1/20 0.37
▸ AKT3 Q9Y243 1/20 0.37
▸ PLA2G2A P14555 1/20 0.37
▸ AHCY P23526 2/20 0.36
▸ EP300 Q09472 1/20 0.36
▸ FTO Q9C0B1 1/20 0.35

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
SCHEMBL29540091 0.90 DOT1L (0.37) KLK7KLK5DOT1LPRKACAPLA2G2A
SCHEMBL30744230 0.85 DOT1L (0.46) DOT1LPRKACAROCK2AKT3PLA2G2A
SCHEMBL29540296 0.81 KLK7 (0.42) KLK7KLK5DOT1LPRKACAROCK2
SCHEMBL23056424 0.78 EP300 (0.41) DOT1LEP300
SCHEMBL16288353 0.78 EP300 (0.43) DOT1LEP300
SCHEMBL16288363 0.78 EP300 (0.43) DOT1LEP300
SCHEMBL16288350 0.78 EP300 (0.43) DOT1LEP300
SCHEMBL16288359 0.78 EP300 (0.43) DOT1LEP300
SCHEMBL16568708 0.78 EP300 (0.43) DOT1LEP300
SCHEMBL15083585 0.78 EP300 (0.43) DOT1LEP300

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-11891457-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-02-06 — — 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-11891457-B2 Peptide-compound cyclization method VIP, NGLY1, GLP1R KLK7 326/4885KLK5 403/4885DOT1L 4554/4885

“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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