SCHEMBL6709589

SCHEMBL6709589

NCC(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O)C1O

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SARS1 P49591 1/20 0.75
▸ TARS1 P26639 2/20 0.74

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
SCHEMBL5666889 1.00 SARS1 (0.75) SARS1TARS1
SCHEMBL29765425 1.00 SARS1 (0.75) SARS1TARS1
SCHEMBL14178246 0.94 TARS1 (0.76) SARS1TARS1
SCHEMBL13773216 0.90 TARS1 (0.78) SARS1TARS1
Alasa SCHEMBL29531843 0.87 TARS1 (0.87) SARS1TARS1
Alasa SCHEMBL4320823 0.87 TARS1 (0.87) SARS1TARS1
Alasa SCHEMBL21067643 0.87 TARS1 (0.87) SARS1TARS1
SCHEMBL178863 0.87 — —
SCHEMBL13773222 0.86 EPRS1 (0.79) SARS1TARS1
SCHEMBL21067959 0.86 SARS1 (1.00) SARS1TARS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040224981-A1 Antibacterial methods and compositions REPLIDYNE, INC. 2004-11-11 — — US disclosed
US-6197495-B1 IDENTIFYING ENZYME INHIBITORS BY USING COMPUTER PROGRAM TO CREATE THREE DIMENSIONAL STRUCTURE OF ENZYME ACTIVE SITE AND OF TEST COMPOUND, DISPLAYING AND SUPERIMPOSING THE IMAGES, THEN TESTING COMPOUND IN BIOLOGICAL SYNTHETASE ASSAY SMITHKLINE BEECHAM CORPORATION 2001-03-06 — — US disclosed
US-6037117-A DESIGNING DRUGS BY USING THE STRUCTURAL COORDINATES OF BACTERIAL ENZYME PROTEIN CRYSTALS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-14 — — 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-20040224981-A1 Antibacterial methods and compositions AARS1, NOP2, NSUN3 SARS1 15/4885TARS1 261/4885

“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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