SCHEMBL17453435

SCHEMBL17453435

Nc1ccn([C@]2(O)[C@H](CO)SC[C@@H]2F)c(=O)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ ALB P02768 3/20 0.45
▸ CACNA1F O60840 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ CACNA1D Q01668 2/20 0.45
▸ CACNA1S Q13698 2/20 0.45
▸ CACNA1C Q13936 2/20 0.45
▸ PDE4D Q08499 1/20 0.39
▸ SLC29A1 Q99808 1/20 0.39
▸ THRB P10828 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ NCOA1 Q15788 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ POLG P54098 1/20 0.32
▸ FGFR1 P11362 2/20 0.32

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
SCHEMBL20336309 0.70 PDE3A (0.42) PDE3ALMNAALBCACNA1FMAPT
SCHEMBL2745725 0.70 PDE3A (0.42) PDE3ALMNAALBCACNA1FMAPT
SCHEMBL7642787 0.70 PDE3A (0.40) PDE3ALMNAALBCACNA1FMAPT
SCHEMBL599848 0.69 PDE3A (0.46) PDE3ALMNAALBCACNA1FMAPT
SCHEMBL599849 0.69 PDE3A (0.46) PDE3ALMNAALBCACNA1FMAPT
SCHEMBL5940639 0.69 PDE3A (0.44) PDE3ALMNAALBCACNA1FMAPT
SCHEMBL8478149 0.69 PDE3A (0.50) PDE3ALMNAALBCACNA1FMAPT
SCHEMBL8524794 0.69 PDE3A (0.50) PDE3ALMNAALBCACNA1FMAPT
SCHEMBL27194237 0.67 PDE3A (0.38) PDE3ALMNAALBCACNA1FMAPT
SCHEMBL27097078 0.67 PDE3A (0.44) PDE3ALMNAALBCACNA1FMAPT

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-9475835-B2 Synthetic intermediate of 1-(2-deoxy-2-fluoro-4-thio-β-D-arabinofuranosyl) cytosine, synthetic intermediate of thionucleoside, and method for producing the same FUJIFILM CORPORATION (JP) 2016-10-25 — — US disclosed
US-20160024132-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL) CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2016-01-28 — — 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-20160024132-A1 SYNTHETIC INTERMEDIATE OF 1-(2-DEOXY-2-FLUORO-4-THIO-ß-D-ARABINOFURANOSYL) CYTOSINE, SYNTHETIC INTERMEDIATE OF THIONUCLEOSIDE, AND METHOD FOR PRODUCING THE SAME TYMS, TYMP, RRM2B PDE3A 3375/4885LMNA 2024/4885ALB 3462/4885

“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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