SCHEMBL13210932

SCHEMBL13210932

C=C1C=CN([C@@H]2O[C@H](C(=O)NCC(=O)NCP(=O)(OCC)OCC)[C@@H](O)[C@H]2O)C(=O)N1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ENTPD2 Q9Y5L3 3/20 0.61
▸ ENTPD1 P49961 1/20 0.41
▸ ADORA3 P0DMS8 3/20 0.32
▸ ADORA2A P29274 2/20 0.31
▸ ADORA1 P30542 2/20 0.31
▸ P2RY14 Q15391 2/20 0.31
▸ TSHR P16473 3/20 0.30
▸ MAPK1 P28482 2/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30
▸ TMIGD3 P0DMS9 1/20 0.30
▸ HSP90B1 P14625 1/20 0.30
▸ ADORA2B P29275 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL13210938 0.92 ENTPD2 (0.52) ENTPD2ENTPD1ADORA3ADORA2AADORA1
SCHEMBL13210940 0.91 ENTPD2 (0.56) ENTPD2ENTPD1ADORA3ADORA2AADORA1
SCHEMBL13210931 0.90 ENTPD2 (0.63) ENTPD2ENTPD1P2RY14
SCHEMBL13210942 0.87 ENTPD2 (0.46) ENTPD2ENTPD1ADORA3P2RY14
SCHEMBL13210937 0.86 ENTPD2 (0.66) ENTPD2ENTPD1ADORA3ADORA1ADORA2B
SCHEMBL13210929 0.80 ENTPD1 (0.67) ENTPD2ENTPD1ADORA3ADORA1ADORA2B
SCHEMBL13210936 0.79 ENTPD2 (0.49) ENTPD2ENTPD1P2RY14
SCHEMBL13210935 0.79 ENTPD2 (0.41) ENTPD2ENTPD1ADORA3ADORA2AADORA1
SCHEMBL13210957 0.77 ENTPD2 (0.51) ENTPD2ENTPD1ADORA3ADORA1ADORA2B
SCHEMBL13210978 0.76 ENTPD2 (1.00) ENTPD2ENTPD1P2RY14

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.

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