SCHEMBL13773429

SCHEMBL13773429

C[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H](n2cnc3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.84

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IARS1 P41252 4/20 0.84
SARS1 P49591 3/20 0.84
MARS1 P56192 2/20 0.79
CA1 P00915 1/20 0.72
CA2 P00918 1/20 0.72
CA4 P22748 1/20 0.72
CA9 Q16790 1/20 0.72
TARS1 P26639 2/20 0.68
LARS1 Q9P2J5 2/20 0.68
ADORA3 P0DMS8 2/20 0.65

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
SCHEMBL29580149 1.00 IARS1 (0.84) IARS1SARS1MARS1CA1CA2
Alasa SCHEMBL21067643 0.87 TARS1 (0.87) IARS1SARS1MARS1TARS1LARS1
Alasa SCHEMBL4320823 0.87 TARS1 (0.87) IARS1SARS1MARS1TARS1LARS1
Alasa SCHEMBL29531843 0.87 TARS1 (0.87) IARS1SARS1MARS1TARS1LARS1
SCHEMBL29737838 0.84 CA1 (1.00) IARS1SARS1MARS1CA1CA2
SCHEMBL2489469 0.84 CA1 (1.00) IARS1SARS1MARS1CA1CA2
SCHEMBL2489474 0.84 CA1 (1.00) IARS1SARS1MARS1CA1CA2
SCHEMBL14201599 0.84 CA1 (1.00) IARS1SARS1MARS1CA1CA2
SCHEMBL21067691 0.81 TARS1 (1.00) IARS1SARS1MARS1TARS1LARS1
SCHEMBL4316150 0.81 TARS1 (1.00) IARS1SARS1MARS1TARS1LARS1

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-20090170805-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-07-02 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-20090170805-A1 ANTI-MICROBIAL AGENTS AND USES THEREOF ACAT1, ACAT2, APEH IARS1 2068/4885SARS1 722/4885MARS1 216/4885

“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.