SCHEMBL16158818

SCHEMBL16158818

C=C1NC(=O)C(C)=CN1[C@@H]1O[C@@H]2COP(=S)(Nc3ccccc3)OC2C1O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.34
▸ STING1 Q86WV6 2/20 0.33
▸ PDE4A P27815 10/20 0.33
▸ PDE4B Q07343 10/20 0.33
▸ PDE4C Q08493 10/20 0.33
▸ PDE4D Q08499 10/20 0.33
▸ THRB P10828 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
SCHEMBL10150542 0.81 DHFR (0.33) —
SCHEMBL16158819 0.81 STING1 (0.33) STING1PDE4APDE4BPDE4CPDE4D
SCHEMBL16158849 0.78 PDE4A (0.35) STING1PDE4APDE4BPDE4CPDE4D
SCHEMBL17826611 0.77 DHFR (0.45) —
SCHEMBL16158835 0.77 RXFP1 (0.33) STING1PDE4APDE4BPDE4CPDE4D
SCHEMBL10150541 0.66 KMT2A (0.53) STING1PDE4APDE4BPDE4CPDE4D
SCHEMBL25458682 0.64 CDA (0.42) —
SCHEMBL15745776 0.60 UMPS (0.47) —
SCHEMBL10150520 0.59 DHFR (0.39) —
SCHEMBL15249018 0.59 P2RY2 (0.36) —

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-9365605-B2 Cyclic nucleotide analogs ALIOS BIOPHARMA, INC. (US) 2016-06-14 — — US disclosed
US-20140303108-A1 CYCLIC NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. 2014-10-09 — — 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-20140303108-A1 CYCLIC NUCLEOTIDE ANALOGS NT5C2, NTPCR, PNP TDP1 440/4885STING1 128/4885PDE4A 22/4885

“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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