SCHEMBL20879526

SCHEMBL20879526

C=C[C@]12O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](F)[C@@]1(O)C2O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 5/20 0.45
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ HINT1 P49773 1/20 0.43
▸ NT5E P21589 1/20 0.43
▸ PNP P00491 2/20 0.41
▸ KRAS P01116 1/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ RPS6KA3 P51812 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41

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
SCHEMBL21385572 0.86 STING1 (0.48) STING1PDE3BPDE3AADORA3HINT1
SCHEMBL20017120 0.82 ADORA3 (0.46) STING1PDE3BPDE3AADORA3HINT1
SCHEMBL15966105 0.82 STING1 (0.49) STING1PDE3BPDE3AADORA3HINT1
SCHEMBL21385609 0.82 KRAS (0.46) STING1PDE3BPDE3ANT5EPNP
SCHEMBL21385655 0.82 HINT1 (0.49) STING1PDE3BPDE3AADORA3HINT1
SCHEMBL19590168 0.82 ADORA3 (0.46) STING1PDE3BPDE3AADORA3HINT1
SCHEMBL20879497 0.82 STING1 (0.45) STING1PDE3BPDE3AADORA3HINT1
SCHEMBL19590338 0.82 HINT1 (0.49) STING1PDE3BPDE3AADORA3HINT1
SCHEMBL15966098 0.79 STING1 (0.51) STING1PDE3BPDE3AADORA3HINT1
SCHEMBL22364048 0.78 ADORA3 (0.44) STING1PDE3BPDE3AADORA3HINT1

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
US-RE48171-E1 Substituted nucleosides, nucleotides and analogs thereof Janssen Biopharma, Inc. (US) 2020-08-25 — — US disclosed
US-10464965-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2019-11-05 — — US disclosed
US-10421771-B2 — — 2019-09-24 — — US disclosed
US-10420788-B2 — — 2019-09-24 — — US disclosed
EP-3466959-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen BioPharma, Inc. (US) 2019-04-10 — — 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 (3 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-10464965-B2 Substituted nucleosides, nucleotides and analogs thereof PNP, NT5C3B, ADAR STING1 301/4885PDE3B 310/4885PDE3A 266/4885
US-10420788-B2 — PNP, ADAR, NT5C2 STING1 284/4885PDE3B 241/4885PDE3A 219/4885
US-10421771-B2 — PNP, ADAR, NT5C2 STING1 284/4885PDE3B 241/4885PDE3A 219/4885

“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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