SCHEMBL13211017

SCHEMBL13211017

CCOP(=O)(Cc1ccc(NC(=O)CCCNC(=O)[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)[C@H](O)[C@@H]2O)cc1)OCC

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ENTPD1 P49961 1/20 0.72
▸ ENTPD2 Q9Y5L3 3/20 0.65
▸ TK2 O00142 2/20 0.37
▸ P2RY14 Q15391 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA2B P29275 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ TK1 P04183 1/20 0.35
▸ HDAC1 Q13547 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
SCHEMBL13211016 0.91 ENTPD2 (0.78) ENTPD1ENTPD2ADORA3ADORA2BADORA1
SCHEMBL3027042 0.90 ENTPD1 (0.57) ENTPD1ENTPD2
SCHEMBL3027038 0.90 ENTPD1 (0.57) ENTPD1ENTPD2
SCHEMBL13210975 0.88 ENTPD1 (0.91) ENTPD1ENTPD2P2RY14
SCHEMBL13210974 0.84 ENTPD1 (1.00) ENTPD1ENTPD2P2RY14
SCHEMBL13211038 0.82 ENTPD2 (0.58) ENTPD1ENTPD2TK2P2RY14TK1
SCHEMBL3015602 0.82 ENTPD2 (0.58) ENTPD1ENTPD2TK2P2RY14TK1
SCHEMBL15859373 0.82 ENTPD2 (0.58) ENTPD1ENTPD2TK2P2RY14TK1
SCHEMBL13210954 0.81 ENTPD1 (0.61) ENTPD1ENTPD2ADORA3ADORA2AADORA2B
SCHEMBL3017924 0.81 ENTPD2 (0.62) ENTPD1ENTPD2

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
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

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 10/4885TK2 410/4885

“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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