SCHEMBL4159337

SCHEMBL4159337

CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)CC(=O)CC(=O)O

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.78
ALDH1A1 P00352 1/20 0.78
CYP3A4 P08684 1/20 0.78
PDE6D O43924 1/20 0.78
NR1I2 O75469 1/20 0.78
PDE4D Q08499 1/20 0.78
HDAC1 Q13547 1/20 0.72
HDAC2 Q92769 1/20 0.72
HDAC6 Q9UBN7 1/20 0.72
ABCC3 O15438 1/20 0.71
ABCC4 O15439 1/20 0.71

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
SCHEMBL4170869 1.00 HMGCR (0.78) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL4209321 1.00 HMGCR (0.78) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL3070830 1.00 HMGCR (0.78) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL10305921 0.93 HMGCR (0.73) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL3198400 0.93 HMGCR (0.86) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL3201932 0.93 HMGCR (0.86) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL3210158 0.93 HMGCR (0.86) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL5316885 0.93 HMGCR (0.86) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL3201954 0.93 HMGCR (0.86) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL10297391 0.93 HMGCR (0.86) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701642-B2 Method for producing optically active 5-hydroxy-3-ketoester NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-07-11 US claimed
US-20160185734-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 5-HYDROXY-3-KETOESTER NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-06-30 US claimed
US-20170305867-A1 ROSUVASTATIN CALCIUM AND PROCESS FOR PRODUCING INTERMEDIATE THEREOF API CORPORATION (JP) 2017-10-26 US disclosed
US-9701642-B2 Method for producing optically active 5-hydroxy-3-ketoester NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-07-11 US disclosed
US-9695130-B2 Rosuvastatin calcium and process for producing intermediate thereof API CORPORATION (JP) 2017-07-04 US disclosed
US-20160347718-A1 ROSUVASTATIN CALCIUM AND PROCESS FOR PRODUCING INTERMEDIATE THEREOF API CORPORATION (JP) 2016-12-01 US disclosed
EP-1912953-B1 PROCESS FOR THE SYNTHESIS OF ROSUVASTATIN CALCIUM LEK PHARMACEUTICALS (SI) 2016-08-17 EP disclosed
US-20160185734-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 5-HYDROXY-3-KETOESTER NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-06-30 US disclosed
US-8354530-B2 Preparation of HMG-CoA reductase inhibitors, in particular rosuvastatin calcium, introducing L-malic acid as source of chirality for side chain; statin core moiety is consecutively coupled with chiral segment containing 4 carbon atoms and segment containing 2 carbon atoms; treating hypercholesterolemia Lek Pharmaceuticals d. d (SI) 2013-01-15 US disclosed
US-8212035-B2 Process for preparation of rosuvastatin calcium field of the invention AUROBINDO PHARMA LTD. (IN) 2012-07-03 US disclosed
US-20090312547-A1 PROCESS FOR PREPARATION OF ROSUVASTATIN CALCIUM FIELD OF THE INVENTION AUROBINDO PHARMA LTD (IN) 2009-12-17 US disclosed
US-20090124803-A1 PROCESS FOR PREPARATION OF ROSUVASTATIN UNICHEM LABORATORIES LIMITED (IN) 2009-05-14 US disclosed
US-20080255170-A1 Process for the Synthesis of Rosuvastatin Calcium LEK PHARMACEUTICALS D.D (SI) 2008-10-16 US disclosed
US-20080161560-A1 Process for Preparation of Calcium Salt of Rosuvastatin DESHPANDE PANDURANG BALWANT 2008-07-03 US disclosed
EP-1912953-A1 PROCESS FOR THE SYNTHESIS OF ROSUVASTATIN CALCIUM LEK Pharmaceuticals D.D. (SI) 2008-04-23 EP disclosed
EP-1869005-A1 PROCESS FOR PREPARATION OF CALCIUM SALT OF ROSUVASTATIN UNICHEM LABORATORIES LIMITED (IN) 2007-12-26 EP disclosed
EP-1863773-A1 PROCESS FOR PREPARATION OF ROSUVASTATIN UNICHEM LABORATORIES LIMITED (IN) 2007-12-12 EP disclosed
WO-2007017117-A1 PROCESS FOR THE SYNTHESIS OF ROSUVASTATIN CALCIUM LEK PHARMACEUTICALS D.D. (SI) 2007-02-15 WO disclosed
WO-2006106526-A1 PROCESS FOR PREPARATION OF CALCIUM SALT OF ROSUVASTATIN UNICHEM LABORATORIES LIMITED (IN) 2006-10-12 WO disclosed
WO-2006100689-A1 PROCESS FOR PREPARATION OF ROSUVASTATIN UNICHEM LABORATORIES LIMITED (IN) 2006-09-28 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 (7 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-20160185734-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 5-HYDROXY-3-KETOESTER CYP51A1, HSD3B1, CYP3A5 HMGCR 74/4885ALDH1A1 265/4885CYP3A4 25/4885
US-20090312547-A1 PROCESS FOR PREPARATION OF ROSUVASTATIN CALCIUM FIELD OF THE INVENTION CACNA1C, CACNG5, CACNA1A HMGCR 18/4885ALDH1A1 2101/4885CYP3A4 607/4885
US-20160347718-A1 ROSUVASTATIN CALCIUM AND PROCESS FOR PRODUCING INTERMEDIATE THEREOF HMGCR, COASY, PCSK9 HMGCR 1/4885ALDH1A1 2111/4885CYP3A4 163/4885
US-20170305867-A1 ROSUVASTATIN CALCIUM AND PROCESS FOR PRODUCING INTERMEDIATE THEREOF HMGCR, COASY, PCSK9 HMGCR 1/4885ALDH1A1 2111/4885CYP3A4 163/4885
US-20080255170-A1 Process for the Synthesis of Rosuvastatin Calcium HMGCR, ME1, COASY HMGCR 1/4885ALDH1A1 1292/4885CYP3A4 151/4885
US-20080161560-A1 Process for Preparation of Calcium Salt of Rosuvastatin CACNA1C, CACNA1E, CACNA1S HMGCR 16/4885ALDH1A1 2901/4885CYP3A4 583/4885
US-20090124803-A1 PROCESS FOR PREPARATION OF ROSUVASTATIN ACSL5, HMGCR, PCSK9 HMGCR 2/4885ALDH1A1 1776/4885CYP3A4 87/4885

“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.