SCHEMBL117520

SCHEMBL117520

CCCCC#Cc1nc(N)c2ncn([C@H]3O[C@H](COS(=O)(=O)NC(=O)[C@@H](N)CCSC)[C@@H](O)[C@@H]3O)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 6/20 1.00
IARS1 P41252 2/20 0.78
ADORA2A P29274 6/20 0.63
ADORA3 P0DMS8 5/20 0.63
ADORA2B P29275 2/20 0.60
ADORA1 P30542 1/20 0.60
SARS1 P49591 2/20 0.59

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
SCHEMBL10069778 0.88 MARS1 (0.80) MARS1IARS1SARS1
SCHEMBL4308351 0.83 MARS1 (1.00) MARS1IARS1SARS1
SCHEMBL21067350 0.83 MARS1 (1.00) MARS1IARS1SARS1
SCHEMBL178820 0.83 MARS1 (1.00) MARS1IARS1SARS1
SCHEMBL178826 0.83 MARS1 (1.00) MARS1IARS1SARS1
SCHEMBL13773213 0.79 MARS1 (0.82) MARS1IARS1SARS1
SCHEMBL13773214 0.79 MARS1 (0.82) MARS1IARS1SARS1
SCHEMBL13773212 0.79 MARS1 (0.82) MARS1IARS1SARS1
SCHEMBL5362281 0.79 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5362267 0.79 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1

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-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-08 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-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF AARS1, GARS1, TRMT1 MARS1 55/4885IARS1 46/4885ADORA2A 2319/4885

“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.