SCHEMBL3025709

SCHEMBL3025709

O=C(CCCNC(=O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@@H]1O)Nc1ccc(CP(=O)(O)O)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENTPD1 P49961 1/20 0.73
ENTPD2 Q9Y5L3 3/20 0.65
P2RY14 Q15391 4/20 0.47
P2RY2 P41231 9/20 0.46
P2RY6 Q15077 7/20 0.43
P2RY4 P51582 3/20 0.41
ENPP2 Q13822 1/20 0.41
DGAT2 Q96PD7 1/20 0.41
SLC28A1 O00337 1/20 0.41
SLC28A2 O43868 1/20 0.41
SLC29A1 Q99808 1/20 0.41
SLC28A3 Q9HAS3 1/20 0.41

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
SCHEMBL3025705 1.00 ENTPD1 (0.73) ENTPD1ENTPD2P2RY14P2RY2P2RY6
SCHEMBL3024202 0.95 ENTPD1 (0.80) ENTPD1ENTPD2P2RY14P2RY2P2RY6
SCHEMBL3024200 0.95 ENTPD1 (0.80) ENTPD1ENTPD2P2RY14P2RY2P2RY6
SCHEMBL3020107 0.90 ENTPD2 (0.79) ENTPD1ENTPD2P2RY14P2RY2P2RY6
SCHEMBL3020110 0.90 ENTPD2 (0.79) ENTPD1ENTPD2P2RY14P2RY2P2RY6
SCHEMBL13211022 0.90 ENTPD2 (0.79) ENTPD1ENTPD2P2RY14P2RY2P2RY6
SCHEMBL15859417 0.90 ENTPD2 (0.79) ENTPD1ENTPD2P2RY14P2RY2P2RY6
SCHEMBL15859418 0.90 ENTPD2 (0.79) ENTPD1ENTPD2P2RY14P2RY2P2RY6
SCHEMBL13210975 0.89 ENTPD1 (0.91) ENTPD1ENTPD2P2RY14P2RY2P2RY6
SCHEMBL3019597 0.88 ENTPD2 (0.65) ENTPD1ENTPD2P2RY14P2RY2P2RY6

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 10/4885P2RY14 34/4885

“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.