SCHEMBL13210941

SCHEMBL13210941

C=C1CCN([C@@H]2O[C@H](C(=O)NCCC(=O)NC(CCC(=O)O)C(=O)O)[C@@H](O)[C@H]2O)C(=O)N1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 6/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ ADORA3 P0DMS8 5/20 0.34
▸ ADORA2A P29274 5/20 0.34
▸ ADORA1 P30542 4/20 0.34
▸ PRKACA P17612 3/20 0.33
▸ TYMS P04818 3/20 0.33
▸ GART P22102 3/20 0.33
▸ ATIC P31939 3/20 0.33
▸ ROCK2 O75116 1/20 0.32
▸ AKT3 Q9Y243 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
SCHEMBL13210939 0.92 ADORA3 (0.40) EPHX2ADORA3ADORA2AADORA1PRKACA
SCHEMBL13210962 0.92 ADORA3 (0.33) FOLH1EPHX2ADORA3ADORA2AADORA1
SCHEMBL13211010 0.91 FOLH1 (0.38) FOLH1EPHX2ADORA3ADORA2AADORA1
SCHEMBL13210961 0.87 ADORA3 (0.39) EPHX2ADORA3ADORA2AADORA1PRKACA
SCHEMBL14384561 0.83 ADORA3 (0.41) EPHX2ADORA3ADORA2AADORA1PRKACA
SCHEMBL13211031 0.83 ADORA3 (0.34) FOLH1EPHX2ADORA3ADORA2AADORA1
SCHEMBL13210959 0.83 ADORA3 (0.36) ADORA3ADORA2AADORA1
SCHEMBL14384567 0.83 ADORA3 (0.41) EPHX2ADORA3ADORA2AADORA1PRKACA
SCHEMBL13211027 0.78 ADORA3 (0.40) EPHX2ADORA3ADORA2AADORA1PRKACA
SCHEMBL14387176 0.78 ADORA3 (0.40) EPHX2ADORA3ADORA2AADORA1PRKACA

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 FOLH1 802/4885EPHX2 267/4885ADORA3 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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