SCHEMBL3021880

SCHEMBL3021880

Cc1cn([C@@H]2O[C@H](C(=O)NCCCC(=O)N[C@@](N)(CC(=O)O)C(=O)O)[C@H](O)[C@@H]2O)c(=O)[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ENTPD2 Q9Y5L3 2/20 0.47
▸ TYMP P19971 1/20 0.40
▸ PRKACA P17612 6/20 0.39
▸ TK2 O00142 3/20 0.38
▸ ENTPD1 P49961 1/20 0.37
▸ AHCY P23526 1/20 0.37

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
SCHEMBL3021887 1.00 ENTPD2 (0.47) ENTPD2TYMPPRKACATK2ENTPD1
SCHEMBL3019416 0.85 ENTPD2 (0.62) ENTPD2PRKACAENTPD1
SCHEMBL3019419 0.85 ENTPD2 (0.62) ENTPD2PRKACAENTPD1
SCHEMBL13211032 0.82 ENTPD2 (0.47) ENTPD2TYMPPRKACATK2ENTPD1
SCHEMBL3015340 0.78 PRKACA (0.55) PRKACAAHCY
SCHEMBL3015602 0.76 ENTPD2 (0.58) ENTPD2TYMPTK2ENTPD1AHCY
SCHEMBL13211038 0.76 ENTPD2 (0.58) ENTPD2TYMPTK2ENTPD1AHCY
SCHEMBL3017491 0.76 ENTPD2 (0.37) ENTPD2PRKACAAHCY
SCHEMBL3017485 0.76 ENTPD2 (0.37) ENTPD2PRKACAAHCY
SCHEMBL3027038 0.76 ENTPD1 (0.57) ENTPD2TYMPENTPD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2019834-B1 ECTONUCLEOTIDASE INHIBITORS UNIV BONN (DE) 2014-07-09 — — EP disclosed
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 10/4885TYMP 38/4885PRKACA 1691/4885

“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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