SCHEMBL636536

SCHEMBL636536

Nc1ncnc2c1nc(N)n2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C1O

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENTPD1 P49961 3/20 0.75
TRPM2 O94759 1/20 0.68
P2RY1 P47900 2/20 0.67

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
SCHEMBL636535 1.00 ENTPD1 (0.75) ENTPD1TRPM2P2RY1
SCHEMBL29398104 0.99 ENTPD1 (0.74) ENTPD1TRPM2P2RY1
SCHEMBL16805436 0.92 ENTPD1 (0.77) ENTPD1TRPM2P2RY1
SCHEMBL21283084 0.92 ENTPD1 (0.77) ENTPD1TRPM2P2RY1
SCHEMBL18858917 0.92 ENTPD1 (0.77) ENTPD1TRPM2P2RY1
SCHEMBL18852609 0.92 ENTPD1 (0.77) ENTPD1TRPM2P2RY1
SCHEMBL10528520 0.91 SIRT2 (0.75) ENTPD1TRPM2P2RY1
SCHEMBL12932272 0.91 ENTPD1 (0.76) ENTPD1TRPM2P2RY1
SCHEMBL374912 0.91 ENTPD1 (0.73) ENTPD1TRPM2P2RY1
SCHEMBL15082696 0.91 ENTPD1 (0.73) ENTPD1TRPM2P2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11965164-B2 Amphiphilic polynucleotides DUKE UNIVERSITY (US) 2024-04-23 US disclosed
US-20230183699-A1 AMPHIPHILIC POLYNUCLEOTIDES DUKE UNIVERSITY 2023-06-15 US disclosed
US-11512314-B2 Amphiphilic polynucleotides DUKE UNIVERSITY (US) 2022-11-29 US disclosed
US-20210009999-A1 AMPHIPHILIC POLYNUCLEOTIDES NATIONAL SCIENCE FOUNDATION 2021-01-14 US disclosed
US-8119364-B2 Methods for generating analogs of coenzyme A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-21 US disclosed
US-20100304430-A1 Methods for Generating Analogs of Coenzyme A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-02 US disclosed
US-7727738-B2 Methods for generating analogs of coenzyme A THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-06-01 US disclosed
US-20070128683-A1 Metabolic delivery of coenzyme A analogs NATIONAL SCIENCE FOUNDATION 2007-06-07 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 (4 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-11965164-B2 Amphiphilic polynucleotides NCL, APLNR, POLN ENTPD1 118/4885TRPM2 2770/4885P2RY1 2095/4885
US-20210009999-A1 AMPHIPHILIC POLYNUCLEOTIDES NCL, APLNR, POLN ENTPD1 118/4885TRPM2 2770/4885P2RY1 2095/4885
US-20230183699-A1 AMPHIPHILIC POLYNUCLEOTIDES NCL, APLNR, POLN ENTPD1 118/4885TRPM2 2770/4885P2RY1 2095/4885
US-11512314-B2 Amphiphilic polynucleotides NCL, APLNR, POLN ENTPD1 118/4885TRPM2 2770/4885P2RY1 2095/4885

“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.