SCHEMBL3026701

SCHEMBL3026701

COC(=O)C(NC(=O)CN)P(=O)(OC)OC

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 1/20 0.35
▸ KYNU Q16719 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
Hydrochloric Acid SCHEMBL3026699 0.98 CTSC (0.34) CTSC
SCHEMBL15859404 0.86 CTSC (0.38) CTSC
SCHEMBL14567507 0.79 CAD (0.33) —
SCHEMBL712601 0.77 SMN1; SMN2 (0.33) KYNU
SCHEMBL2707882 0.77 SMN1; SMN2 (0.33) KYNU
SCHEMBL4690902 0.73 POLB (0.57) KYNU
SCHEMBL6601068 0.73 NPSR1 (0.37) —
SCHEMBL275494 0.72 SMN1; SMN2 (0.36) —
SCHEMBL25863400 0.72 SMN1; SMN2 (0.36) —
SCHEMBL33527021 0.71 ALOX15 (0.34) KYNU

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 5 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
EP-2019834-A1 ECTONUCLEOTIDASE INHIBITORS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2009-02-04 — — EP disclosed
WO-2007135195-A1 ECTONUCLEOTIDASE INHIBITORS Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2007-11-29 — — WO disclosed
EP-1860113-A1 Ectonucleotidase inhibitors Rheinische Friedrich-Wilhelms-Universität Bonn (DE) 2007-11-28 — — EP 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 CTSC 109/4885KYNU 1918/4885

“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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