SCHEMBL3187665

SCHEMBL3187665

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)[C@@H](N)CS)C(O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SARS1 P49591 1/20 0.87
LARS1 Q9P2J5 2/20 0.83
TARS1 P26639 2/20 0.80
MARS1 P56192 1/20 0.80
RARS1 P54136 1/20 0.79
IARS1 P41252 1/20 0.77
HARS1 P12081 1/20 0.75

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
SCHEMBL21068060 1.00 SARS1 (0.87) SARS1LARS1TARS1MARS1RARS1
SCHEMBL3187637 1.00 SARS1 (0.87) SARS1LARS1TARS1MARS1RARS1
SCHEMBL4313369 0.93 SARS1 (1.00) SARS1LARS1TARS1MARS1RARS1
SCHEMBL21067959 0.93 SARS1 (1.00) SARS1LARS1TARS1MARS1RARS1
SCHEMBL178823 0.92 SARS1 (0.85) SARS1LARS1TARS1MARS1RARS1
SCHEMBL178824 0.92 SARS1 (0.85) SARS1LARS1TARS1MARS1RARS1
SCHEMBL30270578 0.92 SARS1 (0.85) SARS1LARS1TARS1MARS1RARS1
Leusa SCHEMBL29562511 0.91 LARS1 (1.00) SARS1LARS1TARS1MARS1RARS1
SCHEMBL13773209 0.91 MARS1 (0.84) SARS1LARS1TARS1MARS1RARS1
SCHEMBL13773211 0.91 MARS1 (0.84) SARS1LARS1TARS1MARS1RARS1

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-20100022509-A1 Inhibitors of MshC and Homologs Thereof, and Methods of Identifying Same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-28 US disclosed
WO-2008036139-A2 INHIBITORS OF MSHC AND HOMOLOGS THEREOF, AND METHODS OF IDENTIFYING SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-27 WO 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-20100022509-A1 Inhibitors of MshC and Homologs Thereof, and Methods of Identifying Same ICMT, TST, OGA SARS1 455/4885LARS1 741/4885TARS1 430/4885

“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.