SCHEMBL3024895

SCHEMBL3024895

N[C@@](CCC(=O)O)(NC(=O)CCNC(=O)[C@H]1O[C@@H](N2CCC(=O)NC2=O)[C@@H](O)[C@H]1O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.34
▸ ADORA2A P29274 3/20 0.34
▸ PRKACA P17612 1/20 0.34
▸ ADORA2B P29275 2/20 0.32
▸ ENTPD1 P49961 1/20 0.32
▸ CDA P32320 1/20 0.31
▸ ENTPD2 Q9Y5L3 1/20 0.31
▸ ADORA1 P30542 1/20 0.30

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
SCHEMBL3024902 1.00 ADORA3 (0.34) ADORA3ADORA2APRKACAADORA2BENTPD1
SCHEMBL3027404 0.92 PRKACA (0.35) ADORA3ADORA2APRKACAADORA2BENTPD1
SCHEMBL3027408 0.92 PRKACA (0.35) ADORA3ADORA2APRKACAADORA2BENTPD1
SCHEMBL3017491 0.88 ENTPD2 (0.37) ADORA3ADORA2APRKACACDAENTPD2
SCHEMBL3017485 0.88 ENTPD2 (0.37) ADORA3ADORA2APRKACACDAENTPD2
SCHEMBL3019520 0.83 ENTPD2 (0.33) ADORA3ADORA2APRKACACDAENTPD2
SCHEMBL13210941 0.71 FOLH1 (0.36) ADORA3ADORA2APRKACAADORA1
SCHEMBL3019416 0.65 ENTPD2 (0.62) PRKACAENTPD1ENTPD2
SCHEMBL3019419 0.65 ENTPD2 (0.62) PRKACAENTPD1ENTPD2
SCHEMBL3021880 0.64 ENTPD2 (0.47) PRKACAENTPD1ENTPD2

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 ADORA3 28/4885ADORA2A 32/4885PRKACA 1691/4885

“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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