SCHEMBL21837513

SCHEMBL21837513

C=CCCC(=O)NC(C(=O)O[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@H]1COP(=O)(O)O[C@H]1[C@@H](O[C@@H]2CCCO2)[C@H](n2ccc(N)nc2=O)O[C@@H]1COP(=O)(O)O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RNASEL Q05823 11/20 0.45
▸ ENPP1 P22413 1/20 0.45
▸ P2RX3 P56373 1/20 0.42
▸ P2RX4 Q99571 1/20 0.42
▸ P2RX2 Q9UBL9 1/20 0.42

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
SCHEMBL21837518 1.00 RNASEL (0.45) RNASELENPP1P2RX3P2RX4P2RX2
SCHEMBL21837509 1.00 RNASEL (0.45) RNASELENPP1P2RX3P2RX4P2RX2
SCHEMBL21838003 0.92 ENPP1 (0.52) RNASELENPP1P2RX3P2RX4P2RX2
SCHEMBL21838006 0.92 ENPP1 (0.52) RNASELENPP1P2RX3P2RX4P2RX2
SCHEMBL21837853 0.90 RNASEL (0.44) RNASEL
SCHEMBL21837846 0.90 RNASEL (0.44) RNASEL
SCHEMBL21837858 0.90 RNASEL (0.44) RNASEL
SCHEMBL21837569 0.89 RNASEL (0.42) RNASELENPP1
SCHEMBL21837482 0.89 RNASEL (0.42) RNASELENPP1
SCHEMBL21837717 0.89 RNASEL (0.43) RNASEL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131669-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-04-30 — — US disclosed
EP-3636807-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME Chugai Seiyaku Kabushiki Kaisha (JP) 2020-04-15 — — EP 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-20200131669-A1 CYCLIC PEPTIDE COMPOUND HAVING HIGH MEMBRANE PERMEABILITY, AND LIBRARY CONTAINING SAME VIP, SLC7A1, TRPV1 RNASEL 4339/4885ENPP1 2990/4885P2RX3 453/4885

“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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