SCHEMBL16158835

SCHEMBL16158835

C=CCOP1(=S)OC[C@H]2O[C@@H](N3C=C(C)C(=O)NC3=C)C(O)C2O1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.33
▸ STING1 Q86WV6 3/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31

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
SCHEMBL16158819 0.87 STING1 (0.33) RXFP1STING1PDE4APDE4BPDE4C
SCHEMBL10150557 0.81 DHFR (0.33) —
SCHEMBL16158849 0.77 PDE4A (0.35) RXFP1STING1PDE4APDE4BPDE4C
SCHEMBL17826617 0.77 DHFR (0.44) —
SCHEMBL16158818 0.77 TDP1 (0.34) STING1PDE4APDE4BPDE4CPDE4D
SCHEMBL16158833 0.74 KMT2A (0.35) RXFP1STING1PDE4APDE4BPDE4C
SCHEMBL16158820 0.72 STING1 (0.54) STING1
SCHEMBL17826618 0.71 LMNA (0.45) RXFP1STING1PDE4APDE4BPDE4C
SCHEMBL17826381 0.69 STING1 (0.67) STING1
SCHEMBL10150547 0.68 DHFR (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 RXFP1 3386/4885STING1 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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