SCHEMBL21671191

SCHEMBL21671191

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.38
▸ SLC6A3 Q01959 3/20 0.38
▸ SCN1A P35498 1/20 0.36
▸ SCN2A Q99250 1/20 0.36
▸ SCN3A Q9NY46 1/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA5A P35218 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35
▸ CYP51A1 Q16850 2/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.34

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
SCHEMBL13449655 0.81 ALDH1A1 (0.53) TP53SLC6A3SCN1ASCN2ASCN3A
SCHEMBL23157115 0.78 TP53 (0.42) TP53SLC6A3SCN1ASCN2ASCN3A
SCHEMBL15083519 0.78 CA1 (0.42) TP53SLC6A3SCN1ASCN2ASCN3A
SCHEMBL16674090 0.78 ALDH1A1 (0.53) TP53SLC6A3SCN1ASCN2ASCN3A
SCHEMBL21643143 0.77 TPSAB1 (0.46) —
SCHEMBL21643144 0.77 TPSAB1 (0.46) —
SCHEMBL20467691 0.77 TPSAB1 (0.46) —
SCHEMBL23623916 0.77 HDAC8 (0.40) TP53SLC6A3SCN1ASCN2ASCN3A
SCHEMBL23056478 0.76 SCN1A (0.33) TP53SLC6A3SCN1ASCN2ASCN3A
SCHEMBL23623815 0.74 TP53 (0.36) TP53SLC6A3SCN1ASCN2ASCN3A

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-20200040372-A1 METHOD FOR SYNTHESIZING PEPTIDES IN CELL-FREE TRANSLATION SYSTEM CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2020-02-06 — — 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-20200040372-A1 METHOD FOR SYNTHESIZING PEPTIDES IN CELL-FREE TRANSLATION SYSTEM AARS1, NSUN3, RNGTT TP53 2346/4885SLC6A3 3374/4885SCN1A 4817/4885

“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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