SCHEMBL1021914

SCHEMBL1021914

CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@H](CC(=O)O)OC(C)(C)O1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 10/20 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
ABCC3 O15438 1/20 0.51
ABCC4 O15439 1/20 0.51
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
AKT1 P31749 2/20 0.41

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
SCHEMBL11302965 1.00 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL4079332 1.00 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL4079319 1.00 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL11295264 1.00 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL4079327 1.00 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL1022804 1.00 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL1021915 1.00 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL11302951 1.00 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
Methylamine SCHEMBL3171823 0.99 HMGCR (0.55) HMGCRALDH1A1CYP3A4PDE6DNR1I2
Diethanolamine SCHEMBL3162904 0.95 HMGCR (0.52) 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 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371291-B2 Process for the manufacture of the calcium salt of rosuvastatin (E)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]-pyrimidin-5-yl](3R,5S)-3,5-Dihydroxyhept-6-enoic acid and crystalline intermediates thereof ASTRAZENECA UK LIMITED (GB) 2016-06-21 US claimed
EP-2373609-B1 USE OF AMPHIPHILIC COMPOUNDS FOR CONTROLLED CRYSTALLIZATION OF STATINS AND STATIN INTERMEDIATES KRKA D D NOVO MESTO (SI) 2013-10-16 EP claimed
EP-1682536-B1 PROCESS FOR THE MANUFACTURE OF THE CALCIUM SALT OF ROSUVASTATIN (E)-7-[4-(4-FLUOROPHENYL)-6-ISOPROPYL-2-[METHYL(METHYLSULFONYL)AMINO] PYRIMIDIN-5-YL](3R,5S)-3,5-DIHYDROXYHEPT-6-ENOIC ACID AND CRYSTALLINE INTERMEDIATES THEREOF ASTRAZENECA UK LTD (GB) 2013-02-27 EP claimed
US-20110301348-A1 Process for the Manufacture of the Calcium Salt of Rosuvastatin (E)-7-[4-(4-Fluorophenyl)-6-Isopropyl-2-[Methyl(Methylsulfonyl)Amino]-Pyrimidin-5-yl](3R,5S)-3,5-Dihydroxyhept-6-Enoic Acid and Crystalline Intermediates Thereof ASTRAZENECA UK LIMITED (GB) 2011-12-08 US claimed
US-8063213-B2 Reacting (1-6C)alkyl ester of (E)-(6-{2-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]vinyl}(4R,6S)-2,2-dimethyl[1,3]dioxan-4-yl) acetic acid with hydrochloric acid, salt formation with sodium or potassium hydroxide, basification, desolventization, salt exchange ASTRAZENECA UK LIMITED (GB) 2011-11-22 US claimed
EP-2373609-A1 USE OF AMPHIPHILIC COMPOUNDS FOR CONTROLLED CRYSTALLIZATION OF STATINS AND STATIN INTERMEDIATES KRKA, D.D., Novo Mesto (SI) 2011-10-12 EP claimed
JP-4651615-B2 2011-03-16 JP claimed
EP-2272842-A1 Process for the manufacture of the calcium salt of rosuvastatin and crystalline intermediates thereof AstraZeneca UK Limited (GB) 2011-01-12 EP claimed
WO-2010069593-A1 USE OF AMPHIPHILIC COMPOUNDS FOR CONTROLLED CRYSTALLIZATION OF STATINS AND STATIN INTERMEDIATES KRKA, D. D., NOVO MESTO (SI) 2010-06-24 WO claimed
WO-2009157014-A2 A PROCESS FOR PREPARING HMG-COA REDUCTASE INHIBITORS AND INTERMEDIATES CADILA HEALTHCARE LIMITED (IN) 2009-12-30 WO claimed
US-20080221323-A1 Production of Rosuvastatin Calcium Salt ASTRAZENECA UK LIMITED (GB) 2008-09-11 US claimed
JP-2006526602-A 2006-11-24 JP claimed
EP-1682536-A1 PROCESS FOR THE MANUFACTURE OF THE CALCIUM SALT OF ROSUVASTATIN (E)-7-'4-(4-FLUOROPHENYL)-6-ISOPROPYL-2-'METHYL(METHYLSULFONYL)AMINO ! PYRIMIDIN-5-YL!(3R,5S)-3,5-DIHYDROXYHEPT-6-ENOIC ACID AND CRYSTALLINE INTERMEDIATES THEREOF AstraZeneca UK Limited (GB) 2006-07-26 EP claimed
EP-1633727-A1 IMPROVED PRODUCTION OF THE ROSUVASTATIN CALCIUM SALT AstraZeneca UK Limited (GB) 2006-03-15 EP claimed
WO-2005042522-A1 PROCESS FOR THE MANUFACTURE OF THE CALCIUM SALT OF ROSUVATATIN (E)-7-`4- (4-FLUOROPHENYL) -6-ISOPROPYL-2-`METHYL (METHYLSULFONYL) AMINO ! PYRIMIDIN -5-YL ! (3R, 5S) -3, 5-DIHYDROXYHEPT-6-ENOIC ACID AND CRYSTALLINE INTERMEDIATES THEREOF ASTRAZENECA UK LIMITED (GB) 2005-05-12 WO claimed
US-6844437-B1 Process for the production of tert-butyl (E)-(6-[2-[4-(4-flurophenyl)-6-isopropyl-2-[methyl(methylsufonyl)amino]pyrimidin-5-yl]vinyl]4R,6S)-2,2-dimethyl[1,3]dioxan-4-yl)acetate ASTRAZENECA AB (GB) 2005-01-18 US claimed
WO-2004108691-A1 IMPROVED PRODUCTION OF ROSUVASTATIN CALCIUM SALT ASTRAZENECA UK LIMITED (GB) 2004-12-16 WO claimed
US-20040049036-A1 Process for the production of tert-butyl (E)-(6-[2-[4-(-flourophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]vinyl](4R,6S)-2, 2-dimethyl[1, 3]oioxan-4yl)acetace ASTRAZENECA AB 2004-03-11 US claimed
EP-1155015-A1 PROCESS FOR THE PRODUCTION OF TERT-BUTYL (E)-(6-[2-[4-(4-FLUOROPHENYL)-6-ISOPROPYL-2-[METHYL(METHYLSULFONYL)AMINO]PYRIMIDIN-5-YL]VINYL](4R,6S)-2,2-DIMETHYL[1,3]DIOXAN-4-YL)ACETATE AstraZeneca AB (SE) 2001-11-21 EP claimed
WO-2000049014-A1 PROCESS FOR THE PRODUCTION OF TERT-BUTYL (E)-(6-[2- [4-(4-FLUOROPHENYL) -6-ISOPROPYL-2-[ METHYL (METHYLSULFONYL) AMINO] PYRIMIDIN-5-YL] VINYL](4R, 6S)-2,2-DIMETHYL [1,3]DIOXAN-4-YL) ACETATE ASTRAZENECA AB (SE) 2000-08-24 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20080221323-A1 Production of Rosuvastatin Calcium Salt HMGCR, INPP5D, INPPL1 HMGCR 1/4885ALDH1A1 2489/4885CYP3A4 2136/4885
US-20110301348-A1 Process for the Manufacture of the Calcium Salt of Rosuvastatin (E)-7-[4-(4-Fluorophenyl)-6-Isopropyl-2-[Methyl(Methylsulfonyl)Amino]-Pyrimidin-5-yl](3R,5S)-3,5-Dihydroxyhept-6-Enoic Acid and Crystalline Intermediates Thereof HMGCR, DHCR7, GRHPR HMGCR 1/4885ALDH1A1 1706/4885CYP3A4 1086/4885
US-20040049036-A1 Process for the production of tert-butyl (E)-(6-[2-[4-(-flourophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]vinyl](4R,6S)-2, 2-dimethyl[1, 3]oioxan-4yl)acetace TBXAS1, CYP4B1, DHPS HMGCR 72/4885ALDH1A1 122/4885CYP3A4 7/4885

“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.