SCHEMBL13211035

SCHEMBL13211035

O=C(O)CC(NC(=O)CCCNC(=O)[C@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@H](O)[C@@H]1O)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.55
▸ ADORA2A P29274 2/20 0.55
▸ ADORA1 P30542 2/20 0.55
▸ PRKACA P17612 10/20 0.54
▸ ROCK2 O75116 2/20 0.52
▸ AKT3 Q9Y243 1/20 0.52
▸ AHCY P23526 1/20 0.51
▸ HSP90B1 P14625 1/20 0.49

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
SCHEMBL3015340 0.83 PRKACA (0.55) PRKACAROCK2AHCYHSP90B1
SCHEMBL29378113 0.79 ADORA2A (0.70) ADORA3ADORA2AADORA1HSP90B1
SCHEMBL13211032 0.78 ENTPD2 (0.47) ADORA3ADORA2AADORA1PRKACAROCK2
SCHEMBL14387176 0.73 ADORA3 (0.40) ADORA3ADORA2AADORA1PRKACAROCK2
SCHEMBL13211027 0.73 ADORA3 (0.40) ADORA3ADORA2AADORA1PRKACAROCK2
SCHEMBL13210961 0.72 ADORA3 (0.39) ADORA3ADORA2AADORA1PRKACAROCK2
SCHEMBL13210965 0.72 ADORA3 (0.42) ADORA3ADORA2AADORA1PRKACAROCK2
SCHEMBL13211009 0.72 ENTPD2 (0.55) ADORA3ADORA2AADORA1
SCHEMBL32660834 0.70 PRKACA (1.00) ADORA3ADORA2AADORA1PRKACAROCK2
SCHEMBL31409360 0.70 PRKACA (1.00) PRKACAROCK2AKT3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2019834-B1 ECTONUCLEOTIDASE INHIBITORS UNIV BONN (DE) 2014-07-09 — — EP disclosed
US-20100204182-A1 ECTONUCLEOTIDASE INHIBITORS RHEINISCHE FRIEDRICH-WILHELMS-UNIVERSITAT BONN (DE) 2010-08-12 — — US disclosed
US-20100204182-A1 ECTONUCLEOTIDASE INHIBITORS RHEINISCHE FRIEDRICH-WILHELMS-UNIVERSITAT BONN (DE) 2010-08-12 — — US disclosed
WO-2007135195-A1 ECTONUCLEOTIDASE INHIBITORS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2007-11-29 — — 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-20100204182-A1 ECTONUCLEOTIDASE INHIBITORS NT5E, NT5C2, ENTPD1 ADORA3 28/4885ADORA2A 32/4885ADORA1 19/4885

“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.

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