SCHEMBL3305

SCHEMBL3305

COC(=O)C(O)(O)CCC/C=C/c1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCC3 O15438 1/20 0.57
ABCC4 O15439 1/20 0.57
HMGCR P04035 6/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56
PDE6D O43924 1/20 0.56
NR1I2 O75469 1/20 0.56
PDE4D Q08499 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
AKT1 P31749 2/20 0.44

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
SCHEMBL4538441 0.91 HMGCR (0.61) ABCC3ABCC4HMGCRALDH1A1CYP3A4
SCHEMBL4150176 0.90 ABCC3 (0.62) ABCC3ABCC4HMGCRALDH1A1CYP3A4
SCHEMBL19474869 0.90 ABCC3 (0.62) ABCC3ABCC4HMGCRALDH1A1CYP3A4
SCHEMBL16401134 0.90 ABCC3 (0.53) ABCC3ABCC4HMGCRALDH1A1CYP3A4
SCHEMBL4538040 0.89 ABCC3 (0.62) ABCC3ABCC4HMGCRALDH1A1CYP3A4
SCHEMBL3887767 0.89 HMGCR (0.59) ABCC3ABCC4HMGCRALDH1A1CYP3A4
Zinc Ion SCHEMBL3884322 0.88 ABCC3 (0.60) ABCC3ABCC4HMGCRALDH1A1CYP3A4
SCHEMBL17635504 0.84 HMGCR (0.67) ABCC3ABCC4HMGCRALDH1A1CYP3A4
SCHEMBL6789988 0.82 HMGCR (0.59) ABCC3ABCC4HMGCRALDH1A1CYP3A4
SCHEMBL3885922 0.81 HMGCR (0.62) ABCC3ABCC4HMGCRALDH1A1CYP3A4

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655796-B2 Process for the preparation of rosuvstatin TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-02-02 US disclosed
WO-2009157014-A2 A PROCESS FOR PREPARING HMG-COA REDUCTASE INHIBITORS AND INTERMEDIATES CADILA HEALTHCARE LIMITED (IN) 2009-12-30 WO disclosed
US-7396927-B2 Process for preparation of rosuvastatin calcium TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-07-08 US disclosed
WO-2007099561-A1 PROCESS FOR PREPARING ROSUVASTATIN CALCIUM CADILA HEALTHCARE LIMITED (IN) 2007-09-07 WO disclosed
EP-1816126-A1 Process for preparation of rosuvastatin calcium Teva Pharmaceutical Industries Limited (IL) 2007-08-08 EP disclosed
US-20070142418-A1 Process for the preparation of rosuvastatin TEVA PHARMACEUTICALS USA, INC. 2007-06-21 US disclosed
US-7179916-B2 Process for the preparation of rosuvastatin TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-02-20 US disclosed
EP-1673351-A1 A PROCESS FOR THE PREPARATION OF ROSUVASTATIN INVOLVING A TEMPO-MEDIATED OXIDATION STEP TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2006-06-28 EP disclosed
US-20060089501-A1 Process for the preparation of rosuvastatin TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2006-04-27 US disclosed
WO-2006017357-A1 A PROCESS FOR THE PREPARATION OF ROSUVASTATIN INVOLVING A TEMPO-MEDIATED OXIDATION STEP TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2006-02-16 WO disclosed
EP-1425287-A4 PROCESSES FOR PREPARING CALCIUM SALT FORMS OF STATINS TEVA PHARMA (IL) 2005-09-07 EP disclosed
US-20050080134-A1 Process for preparation of rosuvastatin calcium TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2005-04-14 US disclosed
US-20040176615-A1 Processes for preparing calcium salt forms of statins NIDDAM-HILDESHEIM VALERIE (IL) 2004-09-09 US disclosed
US-6777552-B2 FROM AN ESTER DERIVATIVE OR PROTECTED ESTER DERIVATIVE OF THE STATIN BY USING CALCIUM HYDROXIDE TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2004-08-17 US disclosed
EP-1425287-A1 PROCESSES FOR PREPARING CALCIUM SALT FORMS OF STATINS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-06-09 EP disclosed
US-20030114685-A1 Processes for preparing calcium salt forms of statins TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2003-06-19 US disclosed
WO-2003016317-A1 PROCESSES FOR PREPARING CALCIUM SALT FORMS OF STATINS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2003-02-27 WO disclosed
EP-0521471-B1 Pyrimidine derivatives as HMG-CoA reductase inhibitors SHIONOGI & CO (JP) 2000-10-25 EP disclosed
US-5260440-A Anticholesterol agents SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-11-09 US disclosed
EP-0521471-A1 Pyrimidine derivatives as HMG-CoA reductase inhibitors SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-01-07 EP 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 (5 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-20060089501-A1 Process for the preparation of rosuvastatin HMGCR, PCSK9, CETP ABCC3 1573/4885ABCC4 1329/4885HMGCR 1/4885
US-20040176615-A1 Processes for preparing calcium salt forms of statins HMGCR, PCSK9, LIPA ABCC3 3434/4885ABCC4 2354/4885HMGCR 1/4885
US-20050080134-A1 Process for preparation of rosuvastatin calcium HMGCR, PCSK9, ORAI1 ABCC3 2671/4885ABCC4 2250/4885HMGCR 1/4885
US-20070142418-A1 Process for the preparation of rosuvastatin HMGCR, PCSK9, FDPS ABCC3 1352/4885ABCC4 1249/4885HMGCR 1/4885
US-20030114685-A1 Processes for preparing calcium salt forms of statins HMGCR, PCSK9, LIPA ABCC3 3434/4885ABCC4 2354/4885HMGCR 1/4885

“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.