SCHEMBL10069778

SCHEMBL10069778

CCCCc1nc(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 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MARS1 P56192 6/20 0.80
▸ SARS1 P49591 3/20 0.63
▸ IARS1 P41252 4/20 0.60
▸ LARS1 Q9P2J5 1/20 0.59
▸ RARS1 P54136 1/20 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
SCHEMBL117520 0.88 MARS1 (1.00) MARS1SARS1IARS1
SCHEMBL21067350 0.86 MARS1 (1.00) MARS1SARS1IARS1LARS1RARS1
SCHEMBL178820 0.86 MARS1 (1.00) MARS1SARS1IARS1LARS1RARS1
SCHEMBL178826 0.86 MARS1 (1.00) MARS1SARS1IARS1LARS1RARS1
SCHEMBL4308351 0.86 MARS1 (1.00) MARS1SARS1IARS1LARS1RARS1
SCHEMBL13773214 0.82 MARS1 (0.82) MARS1SARS1IARS1LARS1RARS1
SCHEMBL13773213 0.82 MARS1 (0.82) MARS1SARS1IARS1LARS1RARS1
SCHEMBL13773212 0.82 MARS1 (0.82) MARS1SARS1IARS1LARS1RARS1
SCHEMBL13773209 0.81 MARS1 (0.84) MARS1SARS1IARS1LARS1RARS1
SCHEMBL13773211 0.81 MARS1 (0.84) MARS1SARS1IARS1LARS1RARS1

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 55/4885SARS1 32/4885IARS1 46/4885

“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.

Send feedback