SCHEMBL3015340

SCHEMBL3015340

N[C@@](CC(=O)O)(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 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PRKACA P17612 7/20 0.55
▸ ROCK2 O75116 1/20 0.52
▸ HSP90B1 P14625 1/20 0.51
▸ AHCY P23526 1/20 0.51

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
SCHEMBL13211035 0.83 ADORA3 (0.55) PRKACAROCK2HSP90B1AHCY
SCHEMBL29378113 0.78 ADORA2A (0.70) HSP90B1
SCHEMBL3021887 0.78 ENTPD2 (0.47) PRKACAAHCY
SCHEMBL3021880 0.78 ENTPD2 (0.47) PRKACAAHCY
SCHEMBL3019416 0.77 ENTPD2 (0.62) PRKACA
SCHEMBL3019419 0.77 ENTPD2 (0.62) PRKACA
SCHEMBL3017491 0.73 ENTPD2 (0.37) PRKACAROCK2HSP90B1AHCY
SCHEMBL32660834 0.71 PRKACA (1.00) PRKACAROCK2HSP90B1AHCY
SCHEMBL10001410 0.69 PRKACA (0.83) PRKACAROCK2HSP90B1AHCY
SCHEMBL3027404 0.69 PRKACA (0.35) PRKACAROCK2HSP90B1AHCY

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-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

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 PRKACA 1691/4885ROCK2 4468/4885HSP90B1 1346/4885

“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