SCHEMBL23056300

SCHEMBL23056300

CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)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 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 4/20 0.47
▸ ENPP1 P22413 1/20 0.43
▸ EP300 Q09472 3/20 0.42
▸ P2RY11 Q96G91 2/20 0.40
▸ DNPH1 O43598 1/20 0.40
▸ PRKAB2 O43741 1/20 0.40
▸ TRPM2 O94759 1/20 0.40
▸ LDHA P00338 1/20 0.40
▸ ADRB2 P07550 1/20 0.40
▸ FBP1 P09467 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ P2RY2 P41231 1/20 0.40
▸ P2RY1 P47900 1/20 0.40
▸ PRKAG1 P54619 1/20 0.40
▸ PRKAA2 P54646 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ PRKAA1 Q13131 1/20 0.40
▸ PDE3A Q14432 1/20 0.40

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 0.99 DOT1L (0.47) DOT1LENPP1EP300P2RY11DNPH1
SCHEMBL23056319 0.99 DOT1L (0.47) DOT1LENPP1EP300P2RY11DNPH1
SCHEMBL16289026 0.93 DOT1L (0.46) DOT1LENPP1EP300RNASELCREBBP
SCHEMBL16289029 0.93 DOT1L (0.46) DOT1LENPP1EP300RNASELCREBBP
SCHEMBL16289017 0.93 DOT1L (0.46) DOT1LENPP1EP300RNASELCREBBP
SCHEMBL16289010 0.93 DOT1L (0.46) DOT1LENPP1EP300RNASELCREBBP
SCHEMBL16310474 0.93 DOT1L (0.46) DOT1LENPP1EP300RNASELCREBBP
SCHEMBL16289014 0.93 DOT1L (0.46) DOT1LENPP1EP300RNASELCREBBP
SCHEMBL23056424 0.93 EP300 (0.41) DOT1LENPP1EP300P2RY11DNPH1
SCHEMBL23056439 0.92 EP300 (0.42) DOT1LENPP1EP300P2RY11DNPH1

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 DOT1L 4554/4885ENPP1 1849/4885EP300 4472/4885

“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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