SCHEMBL13210968

SCHEMBL13210968

CCOP(=O)(Cc1ccc(NC(=O)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)cc1)OCC

nearest known ligand 0.85

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ENTPD2 Q9Y5L3 3/20 0.85
ENTPD1 P49961 1/20 0.82
P2RY6 Q15077 10/20 0.46
P2RY2 P41231 11/20 0.46
P2RY4 P51582 6/20 0.46
P2RY14 Q15391 4/20 0.45

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
SCHEMBL14384425 1.00 ENTPD2 (0.85) ENTPD2ENTPD1P2RY6P2RY2P2RY4
SCHEMBL13210969 0.92 ENTPD2 (1.00) ENTPD2ENTPD1P2RY6P2RY2P2RY4
SCHEMBL14384565 0.92 ENTPD2 (1.00) ENTPD2ENTPD1P2RY6P2RY2P2RY4
SCHEMBL13210974 0.90 ENTPD1 (1.00) ENTPD2ENTPD1P2RY6P2RY2P2RY4
SCHEMBL13210975 0.89 ENTPD1 (0.91) ENTPD2ENTPD1P2RY6P2RY2P2RY4
SCHEMBL3019591 0.87 ENTPD2 (0.65) ENTPD2ENTPD1P2RY6P2RY2P2RY4
SCHEMBL3019597 0.87 ENTPD2 (0.65) ENTPD2ENTPD1P2RY6P2RY2P2RY4
SCHEMBL5277178 0.85 ENTPD2 (0.68) ENTPD2ENTPD1P2RY6P2RY2P2RY4
SCHEMBL5284532 0.81 ENTPD2 (0.76) ENTPD2ENTPD1P2RY6P2RY2P2RY4
SCHEMBL13210978 0.80 ENTPD2 (1.00) ENTPD2ENTPD1P2RY6P2RY2P2RY4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204182-A1 ECTONUCLEOTIDASE INHIBITORS RHEINISCHE FRIEDRICH-WILHELMS-UNIVERSITAT BONN (DE) 2010-08-12 US disclosed
US-20100204182-A1 ECTONUCLEOTIDASE INHIBITORS RHEINISCHE FRIEDRICH-WILHELMS-UNIVERSITAT BONN (DE) 2010-08-12 US disclosed
WO-2007135195-A1 ECTONUCLEOTIDASE INHIBITORS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2007-11-29 WO disclosed
EP-1860113-A1 Ectonucleotidase inhibitors Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2007-11-28 EP 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 3/4885P2RY6 22/4885

“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.