SCHEMBL2339006

SCHEMBL2339006

CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1I

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
PDE6D O43924 1/20 0.54
NR1I2 O75469 1/20 0.54
PDE4D Q08499 1/20 0.54
ABCC3 O15438 1/20 0.52
ABCC4 O15439 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
AKT1 P31749 2/20 0.49
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39

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
SCHEMBL6804623 0.86 HMGCR (0.55) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL431291 0.86 HMGCR (0.55) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL14403869 0.85 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL2341001 0.85 HMGCR (0.54) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL4620964 0.85 HMGCR (0.54) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL2347371 0.85 HMGCR (0.54) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL28860507 0.84 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL29482554 0.84 HMGCR (0.58) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL28494229 0.84 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL13538 0.84 HMGCR (0.61) HMGCRALDH1A1CYP3A4PDE6DNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2361906-A1 Process for preparing rosuvastatin AstraZeneca UK Limited (GB) 2011-08-31 EP claimed
US-20080207903-A1 Chemical Process ASTRAZENECA UK LIMITED (GB) 2008-08-28 US claimed
EP-1871747-A2 PROCESS FOR PREPARING ROSUVASTATIN AstraZeneca UK Limited (GB) 2008-01-02 EP claimed
CN-101084197-A Process for the preparation of rosuvastatin ASTRAZENECA UK LTD (GB) 2007-12-05 CN claimed
WO-2006067456-A2 PROCESS FOR PREPARING ROSUVASTATIN ASTRAZENECA UK LIMITED (GB) 2006-06-29 WO claimed
US-20110295005-A1 PROCESS FOR PREPARING PYRIMIDINE DERIVATIVES RATIOPHARM GMBH (DE) 2011-12-01 US disclosed
US-20110295005-A1 PROCESS FOR PREPARING PYRIMIDINE DERIVATIVES RATIOPHARM GMBH (DE) 2011-12-01 US disclosed
US-8034932-B2 Hydroxy-3-methylglutaryl/3-/ coenzyme A reductase inhibitor; anticholesterol agents;dyslipidemia; chemical intermediate for rosuvastatin ASTRAZENECA UK LIMITED (GB) 2011-10-11 US disclosed
EP-2361906-A1 Process for preparing rosuvastatin AstraZeneca UK Limited (GB) 2011-08-31 EP disclosed
US-20080207903-A1 Chemical Process ASTRAZENECA UK LIMITED (GB) 2008-08-28 US disclosed
EP-1871747-A2 PROCESS FOR PREPARING ROSUVASTATIN AstraZeneca UK Limited (GB) 2008-01-02 EP disclosed
CN-101084197-A Process for the preparation of rosuvastatin ASTRAZENECA UK LTD (GB) 2007-12-05 CN disclosed
WO-2006067456-A2 PROCESS FOR PREPARING ROSUVASTATIN ASTRAZENECA UK LIMITED (GB) 2006-06-29 WO 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-20110295005-A1 PROCESS FOR PREPARING PYRIMIDINE DERIVATIVES HMGCR, DPYD, FDPS HMGCR 1/4885ALDH1A1 1104/4885CYP3A4 87/4885
US-20080207903-A1 Chemical Process CYP2C9, CYP2B6, CYP7A1 HMGCR 306/4885ALDH1A1 410/4885CYP3A4 6/4885

“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.