SCHEMBL3027042

SCHEMBL3027042

Cc1cn([C@@H]2O[C@H](C(=O)NCCCC(=O)Nc3ccc(CP(=O)(O)O)cc3)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ENTPD1 P49961 1/20 0.57
▸ ENTPD2 Q9Y5L3 3/20 0.51
▸ ENPP2 Q13822 1/20 0.41
▸ DGAT2 Q96PD7 1/20 0.41
▸ TYMP P19971 3/20 0.39
▸ P2RY2 P41231 1/20 0.39

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
SCHEMBL3027038 1.00 ENTPD1 (0.57) ENTPD1ENTPD2ENPP2DGAT2TYMP
SCHEMBL3017927 0.90 ENTPD2 (0.62) ENTPD1ENTPD2P2RY2
SCHEMBL3017924 0.90 ENTPD2 (0.62) ENTPD1ENTPD2P2RY2
SCHEMBL13211017 0.90 ENTPD1 (0.72) ENTPD1ENTPD2
SCHEMBL3025709 0.86 ENTPD1 (0.73) ENTPD1ENTPD2ENPP2DGAT2P2RY2
SCHEMBL3025705 0.86 ENTPD1 (0.73) ENTPD1ENTPD2ENPP2DGAT2P2RY2
SCHEMBL3024200 0.81 ENTPD1 (0.80) ENTPD1ENTPD2P2RY2
SCHEMBL3024202 0.81 ENTPD1 (0.80) ENTPD1ENTPD2P2RY2
SCHEMBL13211016 0.81 ENTPD2 (0.78) ENTPD1ENTPD2
SCHEMBL13210975 0.78 ENTPD1 (0.91) ENTPD1ENTPD2P2RY2

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 ENTPD1 3/4885ENTPD2 10/4885ENPP2 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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