SCHEMBL16158833

SCHEMBL16158833

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PDE4A P27815 4/20 0.34
▸ PDE4B Q07343 4/20 0.34
▸ PDE4C Q08493 4/20 0.34
▸ PDE4D Q08499 4/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.33
▸ RAPGEF3 O95398 6/20 0.33
▸ THRB P10828 1/20 0.32
▸ LMNA P02545 3/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ STING1 Q86WV6 3/20 0.31
▸ GMNN O75496 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ RAPGEF4 Q8WZA2 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
SCHEMBL10150558 0.81 — —
SCHEMBL17826380 0.75 PDE4A (0.40) KMT2AMEN1ALDH1A1PDE4APDE4B
SCHEMBL18720669 0.75 RXFP1 (0.41) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL16158835 0.74 RXFP1 (0.33) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL16158834 0.72 KMT2A (0.51) KMT2AMEN1ALDH1A1PDE4APDE4B
SCHEMBL18720698 0.71 RXFP1 (0.37) KMT2APDE4APDE4BPDE4CPDE4D
SCHEMBL17826381 0.70 STING1 (0.67) STING1
SCHEMBL18720658 0.67 RXFP1 (0.36) PDE4APDE4BPDE4CPDE4DRXFP1
SCHEMBL16158820 0.67 STING1 (0.54) STING1
SCHEMBL15459909 0.64 LMNA (0.42) KMT2AMEN1ALDH1A1THRBLMNA

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 KMT2A 3789/4885MEN1 1451/4885ALDH1A1 2755/4885

“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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