SCHEMBL13210954

SCHEMBL13210954

C=C1NC(=O)N([C@@H]2O[C@H](C(=O)NCCCC(=O)Nc3ccc(CP(=O)(OCC)OCC)cc3)[C@@H](O)[C@H]2O)C=C1C

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ENTPD1 P49961 1/20 0.61
▸ ENTPD2 Q9Y5L3 3/20 0.55
▸ ADORA3 P0DMS8 12/20 0.34
▸ ADORA1 P30542 12/20 0.34
▸ ADORA2B P29275 11/20 0.34
▸ ADORA2A P29274 2/20 0.34
▸ ENPP2 Q13822 1/20 0.33
▸ DGAT2 Q96PD7 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ JAK3 P52333 1/20 0.32

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
SCHEMBL13210958 0.91 ENTPD2 (0.66) ENTPD1ENTPD2ADORA3ADORA1ADORA2B
SCHEMBL13210929 0.84 ENTPD1 (0.67) ENTPD1ENTPD2ADORA3ADORA1ADORA2B
SCHEMBL13211017 0.81 ENTPD1 (0.72) ENTPD1ENTPD2ADORA3ADORA1ADORA2B
SCHEMBL13210975 0.81 ENTPD1 (0.91) ENTPD1ENTPD2
SCHEMBL13210937 0.79 ENTPD2 (0.66) ENTPD1ENTPD2ADORA3ADORA1ADORA2B
SCHEMBL13210974 0.76 ENTPD1 (1.00) ENTPD1ENTPD2
SCHEMBL13210943 0.76 ENTPD2 (0.63) ENTPD1ENTPD2ADORA3ADORA1ADORA2B
SCHEMBL13211002 0.75 AHCY (0.63) ENTPD1ADORA3ADORA1ADORA2BADORA2A
SCHEMBL13210931 0.75 ENTPD2 (0.63) ENTPD1ENTPD2
SCHEMBL13211016 0.72 ENTPD2 (0.78) ENTPD1ENTPD2ADORA3ADORA1ADORA2B

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 ENTPD1 3/4885ENTPD2 10/4885ADORA3 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.

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