SCHEMBL13538

SCHEMBL13538

CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1C=O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.61
ALDH1A1 P00352 1/20 0.61
CYP3A4 P08684 1/20 0.61
PDE6D O43924 1/20 0.61
NR1I2 O75469 1/20 0.61
PDE4D Q08499 1/20 0.61
ABCC3 O15438 1/20 0.59
ABCC4 O15439 1/20 0.59
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
AKT1 P31749 2/20 0.49

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
SCHEMBL8846682 0.89 HMGCR (0.60) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL2219461 0.89 HMGCR (0.62) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL5698777 0.89 HMGCR (0.49) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL697202 0.89 HMGCR (0.62) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL697201 0.89 HMGCR (0.62) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL10305922 0.88 HMGCR (0.64) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL696979 0.88 HMGCR (0.64) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL696978 0.88 HMGCR (0.64) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL10129258 0.87 HMGCR (0.47) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL22894711 0.87 HMGCR (0.60) 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 421 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111518035-A Rosuvastatin tert-butylamine salt and preparation method thereof 安徽鼎旺医药有限公司 2020-08-11 CN claimed
EP-2788342-B1 PROCESS FOR THE PREPARATION OF A STATIN PRECURSOR DSM SINOCHEM PHARM NL BV (NL) 2018-01-24 EP claimed
EP-3022213-B1 PROCESS FOR THE PREPARATION OF ROSUVASTATIN CALCIUM AND PREPARATION OF ITS NOVEL INTERMEDIATES SUVEN LIFE SCIENCES LTD (IN) 2017-06-21 EP claimed
US-9518028-B2 Process for the preparation of Rosuvastatin calcium and preparation of its novel intermediates SUVEN LIFE SCIENCES LIMITED (IN) 2016-12-13 US claimed
US-20160304468-A1 PROCESS FOR THE PREPARATION OF ROSUVASTATIN CALCIUM AND PREPARATION OF ITS NOVEL INTERMEDIATES SUVEN LIFE SCIENCES LIMITED (IN) 2016-10-20 US claimed
EP-2665722-B1 PROCESS FOR THE PREPARATION OF DIOL SULFONES DSM SINOCHEM PHARM NL BV (NL) 2016-08-17 EP claimed
EP-2576518-B1 IMPROVED PROCESS FOR THE PREPARATION OF PROPENAL INTERMEDIATE AND DERIVATIVES THEREOF PHARMATHEN SA (GR) 2016-08-10 EP claimed
EP-3022213-A1 PROCESS FOR THE PREPARATION OF ROSUVASTATIN CALCIUM AND PREPARATION OF ITS NOVEL INTERMEDIATES Suven Life Sciences Limited (IN) 2016-05-25 EP claimed
US-9150562-B2 Process for the preparation of diol sulfones DSM SINOCHEM PHARMACEUTICALS NETHERLANDS B.V. (NL) 2015-10-06 US claimed
EP-2665721-B1 METHYLTETRAZOLE SULFIDES AND SULFONES DSM SINOCHEM PHARM NL BV (NL) 2015-07-08 EP claimed
WO-2008059519-A2 A PROCESS FOR THE PREPARATION OF INTERMEDIATES OF ROSUVASTATIN GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-05-22 WO claimed
CN-101100459-A Method for preparing (E)-3-[4-(4-fluorophenyl)-6-isopropyl-2-(N-methyl-N-methylsulfonylamino)pyrimidin-5-yl]-prop-2-en-1-ol, intermediate thereof and preparation method for the intermediate ANHUI QINGYUN PHARMACEUTICAL A (CN) 2008-01-09 CN claimed
WO-2007074391-A2 PREPARATION OF A KEY INTERMEDIATE IN THE SYNTHESIS OF ROSUVASTATIN KHAMAR BAKULESH MAFATLAL (IN) 2007-07-05 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
US-20060149065-A1 Process for the preparation of rosuvastatin SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2006-07-06 US claimed
US-20060089501-A1 Process for the preparation of rosuvastatin TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2006-04-27 US claimed
CN-1742000-A Process for the preparation of rosuvastatin RANBAXY LAB LTD (IN) 2006-03-01 CN claimed
EP-1578733-A1 PROCESS FOR THE PREPARATION OF ROSUVASTATIN RANBAXY LABORATORIES, LTD. (IN) 2005-09-28 EP claimed
WO-2004052867-A1 PROCESS FOR THE PREPARATION OF ROSUVASTATIN RANBAXY LABORATORIES LIMITED (IN) 2004-06-24 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 (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-20160304468-A1 PROCESS FOR THE PREPARATION OF ROSUVASTATIN CALCIUM AND PREPARATION OF ITS NOVEL INTERMEDIATES ORAI1, RYR1, CACNA1E HMGCR 4/4885ALDH1A1 1749/4885CYP3A4 141/4885
US-20060089501-A1 Process for the preparation of rosuvastatin HMGCR, PCSK9, CETP HMGCR 1/4885ALDH1A1 2920/4885CYP3A4 24/4885
US-20060149065-A1 Process for the preparation of rosuvastatin HMGCR, PCSK9, CETP HMGCR 1/4885ALDH1A1 3211/4885CYP3A4 42/4885
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.