SCHEMBL16822243

SCHEMBL16822243

Nc1nc2c(ncn2[C@@H]2OC[C@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 8/20 0.58
▸ PDE3B Q13370 1/20 0.58
▸ PDE3A Q14432 1/20 0.58
▸ ADORA3 P0DMS8 2/20 0.53
▸ PNP P00491 1/20 0.53
▸ ADORA2A P29274 1/20 0.52
▸ HINT1 P49773 1/20 0.52
▸ NT5E P21589 1/20 0.52

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
SCHEMBL21162740 1.00 STING1 (0.58) STING1PDE3BPDE3AADORA3PNP
SCHEMBL5571313 1.00 STING1 (0.58) STING1PDE3BPDE3AADORA3PNP
SCHEMBL6551940 0.98 STING1 (0.58) STING1PDE3BPDE3AADORA3PNP
SCHEMBL20673214 0.86 ADORA3 (0.52) STING1PDE3BPDE3AADORA3ADORA2A
SCHEMBL19417833 0.84 STING1 (0.52) STING1PDE3BPDE3AADORA3HINT1
SCHEMBL24772604 0.83 STING1 (0.49) STING1PDE3BPDE3AADORA3PNP
SCHEMBL23600855 0.81 STING1 (0.56) STING1ADORA3ADORA2A
SCHEMBL18661220 0.81 ADORA3 (0.47) STING1PDE3BPDE3AADORA3ADORA2A
SCHEMBL8885117 0.81 PNP (0.60) STING1PDE3BPDE3AADORA3PNP
SCHEMBL7030275 0.80 HINT1 (0.63) PNPHINT1NT5E

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
US-9688715-B2 Synthetic pGpG analogs, methods of preparation and methods of use Temple University—Of the Commonwealth System of Higher Education (US) 2017-06-27 — — US disclosed
US-20150175649-A1 SYNTHETIC pGpG ANALOGS, METHODS OF PREPARATION AND METHODS OF USE TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2015-06-25 — — 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-20150175649-A1 SYNTHETIC pGpG ANALOGS, METHODS OF PREPARATION AND METHODS OF USE MRPL21, PGLS, CFTR STING1 2354/4885PDE3B 180/4885PDE3A 122/4885

“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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