SCHEMBL2518992

SCHEMBL2518992

NC(=O)c1cnc(C(=O)N([C@H](CO)C(=O)O)[C@H](CO)C(=O)O)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.42
ADORA3 P0DMS8 1/20 0.40
TSHR P16473 1/20 0.40
MC4R P32245 1/20 0.40
ADRA1A P35348 1/20 0.40
MC3R P41968 1/20 0.40
ADA P00813 3/20 0.34
GSK3B P49841 1/20 0.33
PSMB11 A5LHX3 1/20 0.32
PSMA7 O14818 1/20 0.32
PSMB1 P20618 1/20 0.32
PSMA1 P25786 1/20 0.32
PSMA2 P25787 1/20 0.32
PSMA3 P25788 1/20 0.32
PSMA4 P25789 1/20 0.32
PSMB8 P28062 1/20 0.32
PSMB9 P28065 1/20 0.32
PSMA5 P28066 1/20 0.32
PSMB4 P28070 1/20 0.32
PSMB6 P28072 1/20 0.32

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
SCHEMBL2519309 0.82 ADORA3 (0.38) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL2526538 0.79 P4HTM (0.41) ADAPSMB11PSMA7PSMB1PSMA1
Serine SCHEMBL4378456 0.75 SIRT6 (0.48) SIRT6ADORA3TSHRMC4RADRA1A
Serine SCHEMBL20946271 0.75 SIRT6 (0.48) SIRT6ADORA3TSHRMC4RADRA1A
Serine SCHEMBL22367625 0.75 SIRT6 (0.48) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL7103591 0.72 SIRT6 (0.31) SIRT6
SCHEMBL590665 0.72 SIRT6 (0.42) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL2635320 0.71 SIRT6 (0.73) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL17712841 0.69 SIRT6 (0.64) SIRT6ADORA3TSHRMC4RADRA1A
Hydrochloric Acid SCHEMBL27917292 0.69 SIRT6 (0.70) SIRT6ADORA3TSHRMC4RADRA1A

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
EP-2376459-B1 MODIFIED PYRAZINE DERIVATIVES AND USES THEREOF MEDIBEACON LLC (US) 2015-02-18 EP disclosed
US-20110250139-A1 Modified Pyrazine Derivatives and Uses Thereof MEDIBEACON, INC. 2011-10-13 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-20110250139-A1 Modified Pyrazine Derivatives and Uses Thereof GLS, GLS2, PLPBP SIRT6 2338/4885ADORA3 3339/4885TSHR 1031/4885

“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.