SCHEMBL1978779

SCHEMBL1978779

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 11/20 0.55
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ PDE6D O43924 1/20 0.48
▸ NR1I2 O75469 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ ABCC3 O15438 1/20 0.47
▸ ABCC4 O15439 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ AKT1 P31749 1/20 0.40

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
SCHEMBL30799327 1.00 HMGCR (0.55) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL2050594 1.00 HMGCR (0.55) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL2050597 1.00 HMGCR (0.55) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL1978780 1.00 HMGCR (0.55) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL8239672 1.00 HMGCR (0.55) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL7933980 1.00 HMGCR (0.55) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL9611179 0.94 HMGCR (0.52) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL3259413 0.92 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL13100382 0.92 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL13637135 0.92 HMGCR (0.46) HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111100075-B Method for preparing rosuvastatin and pitavastatin 2, 6-diene heptanoate compound 南通常佑药业科技有限公司 2022-04-12 — — CN claimed
CN-111100075-A Method for preparing rosuvastatin and pitavastatin 2, 5-diene heptanoate compound 南通常佑药业科技有限公司 2020-05-05 — — CN 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
WO-2011083495-A2 PROCESS FOR THE PREPARATION OF DIHYDROXY PROTECTED DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS MSN LABORATORIES LIMITED (IN) 2011-07-14 — — WO claimed
EP-2327682-A1 Use of amphiphilic compounds for controlled crystallization of statins and statin intermediates KRKA, D.D., Novo Mesto (SI) 2011-06-01 — — EP claimed
WO-2009157014-A2 A PROCESS FOR PREPARING HMG-COA REDUCTASE INHIBITORS AND INTERMEDIATES CADILA HEALTHCARE LIMITED (IN) 2009-12-30 — — WO claimed
WO-2019008593-A1 PROCESS FOR MANUFACTURE OF ROSUVASTATIN CALCIUM AMORPHOUS Melody Healthcare Pvt. Ltd (IN) 2019-01-10 — — WO disclosed
US-9926283-B2 Intermediate compound for preparing rosuvastatin calcium and method for preparing rosuvastatin calcium therefrom ASYMCHEM LABORATORIES (TIANJIN) CO., LTD. (CN) 2018-03-27 — — US disclosed
US-9926283-B2 Intermediate compound for preparing rosuvastatin calcium and method for preparing rosuvastatin calcium therefrom ASYMCHEM LABORATORIES (TIANJIN) CO., LTD. (CN) 2018-03-27 — — US disclosed
US-9850213-B2 Method for preparing rosuvastatin sodium JIANGXI BOYA SEEHOT PHARMACEUTICAL CO., LTD. (CN) 2017-12-26 — — US disclosed
EP-3115367-B1 INTERMEDIATE COMPOUND FOR PREPARING ROSUVASTATIN CALCIUM AND METHOD FOR PREPARING ROSUVASTATIN CALCIUM THEREFROM ASYMCHEM LABORATORIES (TIANJIN) CO LTD (CN) 2017-11-01 — — EP disclosed
US-20170183314-A1 METHOD FOR PREPARING ROSUVASTATIN SODIUM FUDAN UNIVERSITY (CN) 2017-06-29 — — US disclosed
US-20170022169-A1 INTERMEDIATE COMPOUND FOR PREPARING ROSUVASTATIN CALCIUM AND METHOD FOR PREPARING ROSUVASTATIN CALCIUM THEREFROM ASYMCHEM LABORATORIES (TIANJIN) CO., LTD. (CN) 2017-01-26 — — US disclosed
WO-2007125547-A2 NOVEL PROCESS FOR STATINS AND ITS PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF SATYANARAYANA REDDY MANNE (IN) 2007-11-08 — — WO disclosed
US-20070255060-A1 Process for the Manufacture of the Calcium Salt of Rosuvastatin (E)-7-'4-(4-Fluorophenyl)-6-Isopropyl-2-'Methyl (Methylsulfonyl) Amino ! Pyrmidin -5-Yl! (3R, 5S)-3,5-Dihydroxyhept-6-Enoic Acid and Crystalline Intermediates Thereof ASTRAZENECA UK LIMITED (GB) 2007-11-01 — — US disclosed
WO-2007099561-A1 PROCESS FOR PREPARING ROSUVASTATIN CALCIUM CADILA HEALTHCARE LIMITED (IN) 2007-09-07 — — WO disclosed
US-20070155765-A1 Method of preparation of the hemi-calcium salt of (e)-7-[4-(4fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonvl)aminolpyrimidin-5-yl](3r,5s)-3,5-, dihvdroxy-6-heptenoic acid ZENTIVA, A.S. (CZ) 2007-07-05 — — US disclosed
US-20070155765-A1 Method of preparation of the hemi-calcium salt of (e)-7-[4-(4fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonvl)aminolpyrimidin-5-yl](3r,5s)-3,5-, dihvdroxy-6-heptenoic acid ZENTIVA, A.S. (CZ) 2007-07-05 — — US disclosed
EP-1704144-B1 A METHOD OF PREPARATION OF THE HEMI-CALCIUM SALT OF (E)-7- [4-(4-FLUOROPHENYL)-6-ISOPROPYL-2- [ME THYL(METHYLSULFONYL)AMINO]PYRIMIDIN-5-YL](3R,5S)-3,5-DIHYDROXY-6-HEPTENOIC ACID ZENTIVA AS (CZ) 2007-02-07 — — EP 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 (4 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-20170022169-A1 INTERMEDIATE COMPOUND FOR PREPARING ROSUVASTATIN CALCIUM AND METHOD FOR PREPARING ROSUVASTATIN CALCIUM THEREFROM HMGCR, REN, PCSK9 HMGCR 1/4885ALDH1A1 3405/4885CYP3A4 812/4885
US-20070255060-A1 Process for the Manufacture of the Calcium Salt of Rosuvastatin (E)-7-'4-(4-Fluorophenyl)-6-Isopropyl-2-'Methyl (Methylsulfonyl) Amino ! Pyrmidin -5-Yl! (3R, 5S)-3,5-Dihydroxyhept-6-Enoic Acid and Crystalline Intermediates Thereof HMGCR, DHCR7, FADS2 HMGCR 1/4885ALDH1A1 1920/4885CYP3A4 1172/4885
US-20170183314-A1 METHOD FOR PREPARING ROSUVASTATIN SODIUM HMGCR, NOX4, PTEN HMGCR 1/4885ALDH1A1 1238/4885CYP3A4 94/4885
US-20070155765-A1 Method of preparation of the hemi-calcium salt of (e)-7-[4-(4fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonvl)aminolpyrimidin-5-yl](3r,5s)-3,5-, dihvdroxy-6-heptenoic acid HRH4, HRH3, CACNA1E HMGCR 7/4885ALDH1A1 4024/4885CYP3A4 759/4885

“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.

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