SCHEMBL10239771

SCHEMBL10239771

CSP1(=O)OC[C@H]2O[C@@H](n3c(S)nc4c(N)ncnc43)C(O)C2O1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 17/20 0.66
▸ PDE4B Q07343 17/20 0.66
▸ PDE4C Q08493 17/20 0.66
▸ PDE4D Q08499 17/20 0.66
▸ RAPGEF3 O95398 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ HIF1A Q16665 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ PMP22 Q01453 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ PRKACA P17612 1/20 0.55
▸ PRKACG P22612 1/20 0.55
▸ PRKACB P22694 1/20 0.55

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
SCHEMBL10239775 0.89 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL9505216 0.87 PDE4A (0.82) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL10150528 0.87 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL10239776 0.83 STING1 (0.76) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL15865914 0.82 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL9702440 0.79 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL22352198 0.79 STING1 (0.84) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL14260882 0.77 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL1106661 0.77 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DRAPGEF3
SCHEMBL13300472 0.77 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DRAPGEF3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170002037-A1 CYCLIC NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2017-01-05 — — US disclosed
US-9365605-B2 Cyclic nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2016-06-14 — — US disclosed
US-8772474-B2 Cyclic nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2014-07-08 — — US disclosed
WO-2012088155-A1 CYCLIC NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-06-28 — — WO 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-20170002037-A1 CYCLIC NUCLEOTIDE ANALOGS NT5C2, NTPCR, PNP PDE4A 22/4885PDE4B 28/4885PDE4C 23/4885

“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.

Send feedback