SCHEMBL23056439

SCHEMBL23056439

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccc(N=[N+]=[N-])cc1)C(=O)O[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP(=O)(O)[C@H]1C[C@H](n2ccc(N)nc2=O)O[C@@H]1COP(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 4/20 0.42
▸ KAT5 Q92993 2/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ DOT1L Q8TEK3 4/20 0.40
▸ CHAT P28329 2/20 0.38
▸ NAA50 Q9GZZ1 2/20 0.38
▸ AURKA O14965 1/20 0.38
▸ KAT2B Q92831 1/20 0.38
▸ RNASEL Q05823 4/20 0.37
▸ ENPP1 P22413 1/20 0.37
▸ PRKACA P17612 1/20 0.37
▸ DNPH1 O43598 1/20 0.37
▸ PRKAB2 O43741 1/20 0.37
▸ TRPM2 O94759 1/20 0.37
▸ LDHA P00338 1/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ FBP1 P09467 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ P2RY2 P41231 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
SCHEMBL23056612 0.94 DOT1L (0.47) EP300KAT5CREBBPDOT1LCHAT
SCHEMBL23056319 0.94 DOT1L (0.47) EP300KAT5CREBBPDOT1LCHAT
SCHEMBL17991821 0.94 EP300 (0.44) EP300KAT5CREBBPDOT1LCHAT
SCHEMBL16288568 0.94 EP300 (0.44) EP300KAT5CREBBPDOT1LCHAT
SCHEMBL16288572 0.94 EP300 (0.44) EP300KAT5CREBBPDOT1LCHAT
SCHEMBL15083227 0.94 EP300 (0.44) EP300KAT5CREBBPDOT1LCHAT
SCHEMBL16288576 0.94 EP300 (0.44) EP300KAT5CREBBPDOT1LCHAT
SCHEMBL16288580 0.94 EP300 (0.44) EP300KAT5CREBBPDOT1LCHAT
SCHEMBL16288584 0.94 EP300 (0.44) EP300KAT5CREBBPDOT1LCHAT
SCHEMBL15083477 0.94 EP300 (0.44) EP300KAT5CREBBPDOT1LCHAT

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-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-03-04 — — 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-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R EP300 4472/4885KAT5 3786/4885CREBBP 678/4885

“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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