SCHEMBL1740204

SCHEMBL1740204

CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1C=CCC[C@@H](O)C(O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.64
ALDH1A1 P00352 1/20 0.64
CYP3A4 P08684 1/20 0.64
PDE6D O43924 1/20 0.64
NR1I2 O75469 1/20 0.64
PDE4D Q08499 1/20 0.64
ABCC3 O15438 1/20 0.60
ABCC4 O15439 1/20 0.60
HDAC1 Q13547 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59

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
SCHEMBL18979238 1.00 HMGCR (0.64) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL1739611 0.99 HMGCR (0.63) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL2684323 0.99 HMGCR (0.63) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL1741831 0.99 HMGCR (0.63) HMGCRALDH1A1CYP3A4PDE6DNR1I2
Tert-Butylamine SCHEMBL1739621 0.97 HMGCR (0.60) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL3885922 0.95 HMGCR (0.62) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL3884325 0.94 HMGCR (0.61) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL6789988 0.91 HMGCR (0.59) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL3971716 0.90 HMGCR (0.58) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL16401135 0.87 HMGCR (0.55) 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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321733-B2 Crystalline pharmaceutically active ingredients EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2016-04-26 US claimed
US-20130296353-A1 CRYSTALLINE PHARMACEUTICALLY ACTIVE INGREDIENTS EGIS Gyogyszergyar Nyilvanosan Mukodo Reszvenytar- sasag (HU) 2013-11-07 US claimed
EP-2640710-A2 CRYSTALLINE PHARMACEUTICALLY ACTIVE INGREDIENTS Egis Gyógyszergyár Nyilvánosan Müködö Részvénytársaság (HU) 2013-09-25 EP claimed
WO-2012066365-A2 CRYSTALLINE PHARMACEUTICALLY ACTIVE INGREDIENTS EGIS GYÓGYSZERGYÁR Nyilvánosan Müködö Részvénytársaság (HU) 2012-05-24 WO claimed
US-RE37314-E1 Pyrimidine derivatives SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 2001-08-07 US claimed
EP-0521471-B1 Pyrimidine derivatives as HMG-CoA reductase inhibitors SHIONOGI & CO (JP) 2000-10-25 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 disclosed
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 disclosed
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 disclosed
EP-2483248-B1 CRYSTALLINE FORM I ROSUVASTATIN ZINC SALT EGIS GYÓGYSZERGYÁR ZRT (HU) 2016-07-20 EP disclosed
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 disclosed
US-9321733-B2 Crystalline pharmaceutically active ingredients EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2016-04-26 US disclosed
US-9150518-B2 Process for preparing amorphous rosuvastatin calcium of impurities LEK PHARMACEUTICALS, D.D. 2015-10-06 US disclosed
EP-1601658-A1 CRYSTALLINE AMMONIUM SALTS OF ROSUVASTATIN Teva Pharmaceutical Industries Limited (IL) 2005-12-07 EP disclosed
EP-1562912-A2 PROCESS FOR PREPARATION OF ROSUVASTATIN CALCIUM Teva Pharmaceutical Industries Limited (IL) 2005-08-17 EP disclosed
US-20050131066-A1 Crystalline ammonium salts of rosuvastatin NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-06-16 US disclosed
WO-2005051921-A1 CRYSTALLINE AMMONIUM SALTS OF ROSUVASTATIN TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2005-06-09 WO disclosed
US-20050080134-A1 Process for preparation of rosuvastatin calcium TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2005-04-14 US disclosed
WO-2005023778-A2 PROCESS FOR PREPARATION OF ROSUVASTATIN CALCIUM TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2005-03-17 WO disclosed
WO-2005021511-A1 A NOVEL PROCESS FOR AMORPHOUS ROSUVASTATIN CALCIUM HETERO DRUGS LIMITED (IN) 2005-03-10 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-20050131066-A1 Crystalline ammonium salts of rosuvastatin ACSS2, AGT, HMGCR HMGCR 3/4885ALDH1A1 4343/4885CYP3A4 751/4885
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-20050080134-A1 Process for preparation of rosuvastatin calcium HMGCR, PCSK9, ORAI1 HMGCR 1/4885ALDH1A1 4300/4885CYP3A4 148/4885
US-20130296353-A1 CRYSTALLINE PHARMACEUTICALLY ACTIVE INGREDIENTS PCSK9, SLC39A11, SLC10A1 HMGCR 5/4885ALDH1A1 2460/4885CYP3A4 345/4885

“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.