Sugi Predict

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SCHEMBL2690

SCHEMBL2690

CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1CO

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 3/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ PDE6D O43924 1/20 0.58
▸ NR1I2 O75469 1/20 0.58
▸ PDE4D Q08499 1/20 0.58
▸ ABCC3 O15438 1/20 0.56
▸ ABCC4 O15439 1/20 0.56
▸ HDAC1 Q13547 1/20 0.55
▸ HDAC2 Q92769 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ AKT1 P31749 2/20 0.54
▸ GCGR P47871 10/20 0.50

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
SCHEMBL29482554 1.00 HMGCR (0.58) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL2306166 0.92 HMGCR (0.55) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL28494229 0.90 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL4914199 0.90 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL3445256 0.90 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL28860507 0.90 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL246597 0.89 HMGCR (0.55) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL29482555 0.89 HMGCR (0.55) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL246477 0.89 HMGCR (0.55) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL2169086 0.89 AKT1 (0.56) 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 118 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116589413-A Method for preparing rosuvastatin calcium 杭州新曦科技有限公司 2023-08-15 — — CN 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
US-20070142418-A1 Process for the preparation of rosuvastatin TEVA PHARMACEUTICALS USA, INC. 2007-06-21 — — US claimed
US-7179916-B2 Process for the preparation of rosuvastatin TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-02-20 — — US claimed
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 claimed
US-20060089501-A1 Process for the preparation of rosuvastatin TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2006-04-27 — — US claimed
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 claimed
EP-1035127-B1 Process for the preparation of N-[5-(Diphenylphosphinoylmethyl)-4-(4-fluorphenyl)-6-isopropylpyrimidin-2-yl]-N-methylmethansulfonamide LONZA AG (CH) 2003-10-08 — — EP claimed
US-6160115-A Process for preparing N-[5-(diphenylphosphinoylmethyl)-4-(4-fluorophenyl)-6-isopropylpyrimidin -2-yl]-N-methylmethanesulfonamide LONZA AG (CH) 2000-12-12 — — US claimed
CN-114280181-B Rosuvastatin intermediate and detection method of related substances thereof 浙江海翔川南药业有限公司 2024-06-18 — — CN disclosed
CN-116589413-A Method for preparing rosuvastatin calcium 杭州新曦科技有限公司 2023-08-15 — — CN disclosed
CN-116178280-A Preparation method of rosuvastatin calcium genotoxic impurity 浙江乐普药业股份有限公司 2023-05-30 — — CN disclosed
CN-114280181-A Detection method of rosuvastatin intermediate and related substances thereof 浙江海翔川南药业有限公司 2022-04-05 — — CN 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
CN-1272499-A Method for preparing N-[5-(diphenyl phosphinyl methyl)-4-(4-fluoropheyl)-6-isopropyl pyrimidine-2-group]-N-methl methane sulfamide LONZA AG (CH) 2000-11-08 — — CN disclosed
JP-2000309595-A PRODUCTION OF N-[5-(DIPHENYLPHOSPHINOYLMETHYL)-4-(4- FLUOROPHENYL)-6-ISOPROPYLPYRIMIDIN-2-YL-N- METHYLMETHANESULPHONAMIDE LONZA AG 2000-11-07 — — JP disclosed
EP-0521471-B1 Pyrimidine derivatives as HMG-CoA reductase inhibitors SHIONOGI & CO (JP) 2000-10-25 — — EP disclosed
EP-1035127-A1 Process for the preparation of N-[5-(Diphenylphosphinoylmethyl)-4-(4-fluorphenyl)-6-isopropylpyrimidin-2-yl]-N-methylmethansulfonamide Lonza AG (CH) 2000-09-13 — — 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 (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-20060089501-A1 Process for the preparation of rosuvastatin HMGCR, PCSK9, CETP HMGCR 1/4885ALDH1A1 2920/4885CYP3A4 24/4885
US-20070142418-A1 Process for the preparation of rosuvastatin HMGCR, PCSK9, FDPS HMGCR 1/4885ALDH1A1 2996/4885CYP3A4 24/4885

“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.