Sugi Predict

Sugi Predict / Compounds / SCHEMBL800828

SCHEMBL800828

SCHEMBL800828

CC(=O)O[C@@H](C)[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE3A Q14432 3/20 0.49
▸ PDE4D Q08499 1/20 0.49
▸ SLC29A1 Q99808 1/20 0.49
▸ POLA1 P09884 2/20 0.47
▸ LMNA P02545 3/20 0.35
▸ THRB P10828 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ CACNA1F O60840 2/20 0.34
▸ ALB P02768 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ CACNA1D Q01668 2/20 0.34
▸ CACNA1S Q13698 2/20 0.34
▸ CACNA1C Q13936 2/20 0.34
▸ NT5E P21589 1/20 0.34
▸ POLG P54098 1/20 0.34
▸ L3MBTL1 Q9Y468 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
SCHEMBL13134650 1.00 PDE3A (0.49) PDE3APDE4DSLC29A1POLA1LMNA
SCHEMBL13190268 1.00 PDE3A (0.49) PDE3APDE4DSLC29A1POLA1LMNA
SCHEMBL13190270 0.89 PDE3A (0.57) PDE3APDE4DSLC29A1POLA1LMNA
SCHEMBL800826 0.89 PDE3A (0.57) PDE3APDE4DSLC29A1POLA1LMNA
SCHEMBL3788355 0.89 PDE3A (0.57) PDE3APDE4DSLC29A1POLA1LMNA
SCHEMBL882171 0.88 PDE3A (0.51) PDE3APDE4DSLC29A1POLA1LMNA
SCHEMBL800371 0.87 PDE3A (0.48) PDE3APDE4DSLC29A1POLA1LMNA
SCHEMBL13134641 0.87 PDE3A (0.48) PDE3APDE4DSLC29A1POLA1LMNA
SCHEMBL13134658 0.86 PDE3A (0.49) PDE3APDE4DSLC29A1POLA1LMNA
SCHEMBL800387 0.86 PDE3A (0.49) PDE3APDE4DSLC29A1POLA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2623104-A1 Substituted nucleoside and nucleotide analogs Alios Biopharma, Inc. (US) 2013-08-07 — — EP disclosed
WO-2012040126-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-29 — — WO disclosed
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 — — US disclosed
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 — — US disclosed
US-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-30 — — US disclosed
US-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2010-09-30 — — 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 (2 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-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NTPCR, NUDT1 PDE3A 1123/4885PDE4D 321/4885SLC29A1 33/4885
US-20100249068-A1 SUBSTITUTED NUCLEOSIDE AND NUCLEOTIDE ANALOGS PNP, TYMP, NTPCR PDE3A 617/4885PDE4D 327/4885SLC29A1 21/4885

“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.