SCHEMBL3012376

SCHEMBL3012376

Cn1c(=O)ccn([C@@H]2O[C@H](C(=O)NCC(=O)Nc3ccc(CP(=O)(O)O)cc3)[C@@H](O)[C@@H]2O)c1=O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ENTPD2 Q9Y5L3 3/20 0.61
▸ ENTPD1 P49961 1/20 0.52
▸ ENPP2 Q13822 1/20 0.37
▸ DGAT2 Q96PD7 1/20 0.37
▸ ADORA3 P0DMS8 8/20 0.36
▸ ADORA2B P29275 8/20 0.36
▸ ADORA1 P30542 8/20 0.36
▸ NT5E P21589 1/20 0.35

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
SCHEMBL3012375 1.00 ENTPD2 (0.61) ENTPD2ENTPD1ENPP2DGAT2ADORA3
SCHEMBL3020317 0.90 ENTPD2 (0.60) ENTPD2ENTPD1ENPP2DGAT2ADORA3
SCHEMBL3020321 0.90 ENTPD2 (0.60) ENTPD2ENTPD1ENPP2DGAT2ADORA3
SCHEMBL14386949 0.89 ENTPD2 (0.78) ENTPD2ENTPD1ADORA3ADORA2BADORA1
SCHEMBL13211013 0.89 ENTPD2 (0.78) ENTPD2ENTPD1ADORA3ADORA2BADORA1
SCHEMBL3018892 0.89 ENTPD2 (0.57) ENTPD2ENTPD1ENPP2DGAT2ADORA3
SCHEMBL3018891 0.89 ENTPD2 (0.57) ENTPD2ENTPD1ENPP2DGAT2ADORA3
SCHEMBL13211022 0.85 ENTPD2 (0.79) ENTPD2ENTPD1
SCHEMBL15859418 0.85 ENTPD2 (0.79) ENTPD2ENTPD1
SCHEMBL3020107 0.85 ENTPD2 (0.79) ENTPD2ENTPD1

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 10/4885ENTPD1 3/4885ENPP2 50/4885

“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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