SCHEMBL3017491

SCHEMBL3017491

N[C@@](CC(=O)O)(NC(=O)CCCNC(=O)[C@H]1O[C@@H](N2CCC(=O)NC2=O)[C@@H](O)[C@@H]1O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ENTPD2 Q9Y5L3 1/20 0.37
▸ PRKACA P17612 7/20 0.36
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ METTL3 Q86U44 1/20 0.33
▸ METTL14 Q9HCE5 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ HSP90B1 P14625 1/20 0.32
▸ AHCY P23526 1/20 0.32
▸ CDA P32320 1/20 0.31

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
SCHEMBL3017485 1.00 ENTPD2 (0.37) ENTPD2PRKACAADORA3ADORA2AMETTL3
SCHEMBL3027408 0.95 PRKACA (0.35) ENTPD2PRKACAADORA3ADORA2AMETTL3
SCHEMBL3027404 0.95 PRKACA (0.35) ENTPD2PRKACAADORA3ADORA2AMETTL3
SCHEMBL3019520 0.90 ENTPD2 (0.33) ENTPD2PRKACAADORA3ADORA2AHSP90B1
SCHEMBL3019525 0.90 ENTPD2 (0.33) ENTPD2PRKACAADORA3ADORA2AHSP90B1
SCHEMBL3024902 0.88 ADORA3 (0.34) ENTPD2PRKACAADORA3ADORA2ACDA
SCHEMBL3024895 0.88 ADORA3 (0.34) ENTPD2PRKACAADORA3ADORA2ACDA
SCHEMBL14387176 0.80 ADORA3 (0.40) ENTPD2PRKACAADORA3ADORA2AROCK2
SCHEMBL3019416 0.77 ENTPD2 (0.62) ENTPD2PRKACA
SCHEMBL3019419 0.77 ENTPD2 (0.62) ENTPD2PRKACA

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 ENTPD2 10/4885PRKACA 1691/4885ADORA3 28/4885

“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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