SCHEMBL3430

SCHEMBL3430

COC(=O)C[C@@H](CC(=O)C=Cc1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
PDE6D O43924 1/20 0.53
NR1I2 O75469 1/20 0.53
PDE4D Q08499 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
ABCC3 O15438 1/20 0.52
ABCC4 O15439 1/20 0.52
AKT1 P31749 2/20 0.42

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
SCHEMBL14334566 1.00 HMGCR (0.53) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL15976652 1.00 HMGCR (0.53) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL3429 1.00 HMGCR (0.53) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL16401450 0.93 HMGCR (0.52) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL15976641 0.93 HMGCR (0.52) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL7093034 0.93 HMGCR (0.52) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL18979348 0.92 HMGCR (0.60) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL12609138 0.92 HMGCR (0.43) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL12130486 0.92 HMGCR (0.55) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL16401418 0.90 HMGCR (0.49) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011121598-A1 CRYSTALLINE 7-[4-(4-FLUOROPHENYL)-6-ISOPROPYL-2-(METHANESULFONYL-METHYL-AMINO)-PYRIMIDIN-5-YL]-3(R)-HYDROXY-5-OXO-HEPT-6-ENOIC ACID METHYL ESTER AND PROCESS THEREOF BIOCON LIMITED (IN) 2011-10-06 WO claimed
WO-2008093205-A2 A METHOD FOR THE PURIFICATION OF ROSUVASTATIN INTERMEDIATE ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2008-08-07 WO claimed
WO-2011121598-A1 CRYSTALLINE 7-[4-(4-FLUOROPHENYL)-6-ISOPROPYL-2-(METHANESULFONYL-METHYL-AMINO)-PYRIMIDIN-5-YL]-3(R)-HYDROXY-5-OXO-HEPT-6-ENOIC ACID METHYL ESTER AND PROCESS THEREOF BIOCON LIMITED (IN) 2011-10-06 WO disclosed
US-7655796-B2 Process for the preparation of rosuvstatin TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2010-02-02 US disclosed
WO-2008093205-A2 A METHOD FOR THE PURIFICATION OF ROSUVASTATIN INTERMEDIATE ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2008-08-07 WO 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
US-RE37314-E1 Pyrimidine derivatives SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 2001-08-07 US 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 (1 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

“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.