SCHEMBL13210937

SCHEMBL13210937

C=C1C=CN([C@@H]2O[C@H](C(=O)NCC(=O)Nc3ccc(CP(=O)(OCC)OCC)cc3)[C@@H](O)[C@H]2O)C(=O)N1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ENTPD2 Q9Y5L3 3/20 0.66
▸ ENTPD1 P49961 1/20 0.57
▸ ADORA3 P0DMS8 13/20 0.35
▸ ADORA2B P29275 13/20 0.35
▸ ADORA1 P30542 13/20 0.35
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL13210929 0.92 ENTPD1 (0.67) ENTPD2ENTPD1ADORA3ADORA2BADORA1
SCHEMBL13210958 0.88 ENTPD2 (0.66) ENTPD2ENTPD1ADORA3ADORA2BADORA1
SCHEMBL13210943 0.87 ENTPD2 (0.63) ENTPD2ENTPD1ADORA3ADORA2BADORA1
SCHEMBL13210932 0.86 ENTPD2 (0.61) ENTPD2ENTPD1ADORA3ADORA2BADORA1
SCHEMBL13210938 0.84 ENTPD2 (0.52) ENTPD2ENTPD1ADORA3ADORA2BADORA1
SCHEMBL13210942 0.81 ENTPD2 (0.46) ENTPD2ENTPD1ADORA3
SCHEMBL13210940 0.80 ENTPD2 (0.56) ENTPD2ENTPD1ADORA3ADORA2BADORA1
SCHEMBL13210969 0.80 ENTPD2 (1.00) ENTPD2ENTPD1
SCHEMBL14384565 0.80 ENTPD2 (1.00) ENTPD2ENTPD1
SCHEMBL13210954 0.79 ENTPD1 (0.61) ENTPD2ENTPD1ADORA3ADORA2BADORA1

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 1 patent. 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

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 3/4885ADORA3 28/4885

“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.

Send feedback