SCHEMBL3015602

SCHEMBL3015602

CCOP(=O)(OCC)C(NC(=O)CCCNC(=O)[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)[C@@H](O)[C@H]1O)P(=O)(OCC)OCC

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ENTPD2 Q9Y5L3 3/20 0.58
▸ ENTPD1 P49961 1/20 0.47
▸ TK2 O00142 3/20 0.40
▸ P2RY14 Q15391 3/20 0.38
▸ AHCY P23526 1/20 0.37
▸ TK1 P04183 1/20 0.36
▸ TYMP P19971 2/20 0.36

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
SCHEMBL15859373 1.00 ENTPD2 (0.58) ENTPD2ENTPD1TK2P2RY14AHCY
SCHEMBL13211038 1.00 ENTPD2 (0.58) ENTPD2ENTPD1TK2P2RY14AHCY
SCHEMBL13210991 0.86 ENTPD2 (0.78) ENTPD2ENTPD1P2RY14
SCHEMBL3025686 0.86 ENTPD2 (0.78) ENTPD2ENTPD1P2RY14
SCHEMBL13211017 0.82 ENTPD1 (0.72) ENTPD2ENTPD1TK2P2RY14TK1
SCHEMBL3027286 0.81 ENTPD2 (0.70) ENTPD2ENTPD1P2RY14
SCHEMBL14383976 0.81 ENTPD2 (0.70) ENTPD2ENTPD1P2RY14
SCHEMBL13210985 0.81 ENTPD2 (0.70) ENTPD2ENTPD1P2RY14
SCHEMBL14387175 0.81 ENTPD2 (0.70) ENTPD2ENTPD1P2RY14
SCHEMBL13211032 0.81 ENTPD2 (0.47) ENTPD2ENTPD1TK2AHCYTYMP

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 3/4885TK2 410/4885

“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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