SCHEMBL13210962

SCHEMBL13210962

C=C1CCN([C@@H]2O[C@H](C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](O)[C@H]2O)C(=O)N1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 5/20 0.33
▸ ADORA2A P29274 5/20 0.33
▸ FOLH1 Q04609 7/20 0.33
▸ ENTPD2 Q9Y5L3 1/20 0.32
▸ ADORA1 P30542 4/20 0.31
▸ SELP P16109 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ PKLR P30613 1/20 0.31
▸ RIMKLA Q8IXN7 1/20 0.30
▸ NAALAD2 Q9Y3Q0 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
SCHEMBL13210941 0.92 FOLH1 (0.36) ADORA3ADORA2AFOLH1ADORA1EPHX2
SCHEMBL13210959 0.91 ADORA3 (0.36) ADORA3ADORA2AENTPD2ADORA1
SCHEMBL13211031 0.91 ADORA3 (0.34) ADORA3ADORA2AFOLH1ENTPD2ADORA1
SCHEMBL13210939 0.84 ADORA3 (0.40) ADORA3ADORA2AENTPD2ADORA1EPHX2
SCHEMBL13211010 0.83 FOLH1 (0.38) ADORA3ADORA2AFOLH1ADORA1EPHX2
SCHEMBL13210961 0.82 ADORA3 (0.39) ADORA3ADORA2AENTPD2ADORA1EPHX2
SCHEMBL13211025 0.81 ADORA3 (0.37) ADORA3ADORA2AENTPD2ADORA1
SCHEMBL14384561 0.75 ADORA3 (0.41) ADORA3ADORA2AENTPD2ADORA1EPHX2
SCHEMBL14384567 0.75 ADORA3 (0.41) ADORA3ADORA2AENTPD2ADORA1EPHX2
SCHEMBL14387176 0.73 ADORA3 (0.40) ADORA3ADORA2AENTPD2ADORA1EPHX2

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 ADORA3 28/4885ADORA2A 32/4885FOLH1 802/4885

“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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