SCHEMBL3025686

SCHEMBL3025686

CCOP(=O)(OCC)C(NC(=O)CCCNC(=O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O)P(=O)(OCC)OCC

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ENTPD2 Q9Y5L3 3/20 0.78
ENTPD1 P49961 1/20 0.63
P2RY14 Q15391 7/20 0.51
P2RY6 Q15077 5/20 0.43
P2RY2 P41231 7/20 0.43
P2RY4 P51582 3/20 0.43

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
SCHEMBL13210991 1.00 ENTPD2 (0.78) ENTPD2ENTPD1P2RY14P2RY6P2RY2
SCHEMBL3027286 0.95 ENTPD2 (0.70) ENTPD2ENTPD1P2RY14P2RY6P2RY2
SCHEMBL14383976 0.95 ENTPD2 (0.70) ENTPD2ENTPD1P2RY14P2RY6P2RY2
SCHEMBL14387175 0.95 ENTPD2 (0.70) ENTPD2ENTPD1P2RY14P2RY6P2RY2
SCHEMBL13210985 0.95 ENTPD2 (0.70) ENTPD2ENTPD1P2RY14P2RY6P2RY2
SCHEMBL13211037 0.91 ENTPD2 (0.74) ENTPD2ENTPD1P2RY14P2RY6P2RY2
SCHEMBL3014865 0.90 ENTPD2 (0.77) ENTPD2ENTPD1P2RY14P2RY6P2RY2
SCHEMBL13210984 0.90 ENTPD2 (0.77) ENTPD2ENTPD1P2RY14P2RY6P2RY2
SCHEMBL13210980 0.88 ENTPD2 (1.00) ENTPD2ENTPD1P2RY14P2RY6P2RY2
SCHEMBL14384424 0.88 ENTPD2 (1.00) ENTPD2ENTPD1P2RY14P2RY6P2RY2

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 3/4885P2RY14 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.