SCHEMBL20604262

SCHEMBL20604262

CC(C)(C)SSCCN(CC(=O)O)C(=O)OCc1ccc(N=[N+]=[N-])cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
CCR6 P51684 1/20 0.31
PAX8 Q06710 1/20 0.31
CA1 P00915 4/20 0.30
CA2 P00918 4/20 0.30

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
SCHEMBL20604530 0.92 CCR6 (0.34) SCN1ASCN2ASCN3ACCR6PAX8
SCHEMBL20604458 0.87
SCHEMBL20630446 0.84 PPARG (0.35) CCR6PAX8CA1CA2
SCHEMBL20630451 0.83 CA1 (0.36) CCR6PAX8CA1CA2
SCHEMBL20604388 0.82
SCHEMBL20467741 0.82 PTGS2 (0.38) SCN1ASCN2ASCN3ACCR6PAX8
SCHEMBL20604454 0.77 ITGB3 (0.38)
SCHEMBL20604474 0.77 ITGB3 (0.38)
SCHEMBL20604456 0.77 ITGB3 (0.38)
SCHEMBL20630564 0.75 CCR6 (0.38) CCR6PAX8

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-20190338050-A1 PRODUCTION METHOD FOR NONCYCLIC PEPTIDE-NUCLEIC ACID COMPLEX HAVING, AT N-TERMINAL, AMINO ACID WITH THIOL GROUP NEAR AMINO GROUP, LIBRARY THEREOF, AND CYCLIC PEPTIDE-NUCLEIC ACID COMPLEX LIBRARY DERIVED FROM SAME CHUGAI SEIYAKU KABUSHIKI8 KAISHA (JP) 2019-11-07 US disclosed
EP-3424941-A1 PRODUCTION METHOD FOR NONCYCLIC PEPTIDE-NUCLEIC ACID COMPLEX HAVING, AT N-TERMINAL, AMINO ACID WITH THIOL GROUP NEAR AMINO GROUP, LIBRARY THEREOF, AND CYCLIC PEPTIDE-NUCLEIC ACID COMPLEX LIBRARY DERIVED FROM SAME Chugai Seiyaku Kabushiki Kaisha (JP) 2019-01-09 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-20190338050-A1 PRODUCTION METHOD FOR NONCYCLIC PEPTIDE-NUCLEIC ACID COMPLEX HAVING, AT N-TERMINAL, AMINO ACID WITH THIOL GROUP NEAR AMINO GROUP, LIBRARY THEREOF, AND CYCLIC PEPTIDE-NUCLEIC ACID COMPLEX LIBRARY DERIVED FROM SAME RNGTT, NSUN3, RNMT SCN1A 3287/4885SCN2A 3466/4885SCN3A 2985/4885

“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.