SCHEMBL3445256

SCHEMBL3445256

CCc1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56
PDE6D O43924 1/20 0.56
NR1I2 O75469 1/20 0.56
PDE4D Q08499 1/20 0.56
AKT1 P31749 2/20 0.54
ABCC3 O15438 1/20 0.54
ABCC4 O15439 1/20 0.54
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
GCGR P47871 4/20 0.47

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
SCHEMBL19792091 0.91 HMGCR (0.54) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL4914199 0.90 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL28860507 0.90 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL2690 0.90 HMGCR (0.58) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL28494229 0.90 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL29482554 0.90 HMGCR (0.58) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL246477 0.89 HMGCR (0.55) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL7942664 0.89 HMGCR (0.55) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL29482555 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9376397-B2 Key intermediates for the synthesis of rosuvastatin or pharmaceutically acceptable salts thereof LEK PHARMACEUTICALS D.D. (SI) 2016-06-28 US disclosed
EP-2086945-B1 NOVEL PROCESS FOR THE PREPARATION OF STATINS AND THEIR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF MSN LAB PRIVATE LTD (IN) 2016-01-06 EP disclosed
EP-2752407-B1 Crystalline rosuvastatin calcium trihydrate KRKA TOVARNA ZDRAVIL D D NOVO MESTO (SI) 2015-09-23 EP disclosed
US-20150141449-A1 KEY INTERMEDIATES FOR THE SYNTHESIS OF ROSUVASTATIN OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS D.D. (SI) 2015-05-21 US disclosed
US-8673881-B2 Compositions and methods for the treatment of inflammation A.T. Resolve Sarl (CH) 2014-03-18 US disclosed
US-8471045-B2 Synthesis of statins LEK PHARMACEUTICALS D.D. (SI) 2013-06-25 US disclosed
US-8404870-B2 ((2S,4R)-4,6-dihydroxytetrahydro-2H-pyran-2-yl)methyl carboxylate and process for the production thereof LEK PHARMACEUTICALS D.D. (SI) 2013-03-26 US disclosed
US-8354530-B2 Preparation of HMG-CoA reductase inhibitors, in particular rosuvastatin calcium, introducing L-malic acid as source of chirality for side chain; statin core moiety is consecutively coupled with chiral segment containing 4 carbon atoms and segment containing 2 carbon atoms; treating hypercholesterolemia Lek Pharmaceuticals d. d (SI) 2013-01-15 US disclosed
US-8269001-B2 Process for the synthesis of HMG-CoA reductase inhibitors LEK PHARMACEUTICALS D.D. (SI) 2012-09-18 US disclosed
US-20120196333-A1 SYNTHESIS OF STATINS LEK PHARMACEUTICALS D.D. (SI) 2012-08-02 US disclosed
US-8183397-B2 Synthesis of statins LEK PHARMACEUTICALS D.D. (SI) 2012-05-22 US disclosed
US-20120101061-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION A.T. Resolve Sarl (CH) 2012-04-26 US disclosed
US-20120022091-A1 KEY INTERMEDIATES FOR THE SYNTHESIS OF ROSUVASTATIN OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS D.D. (SI) 2012-01-26 US disclosed
US-20110269962-A1 PROCESS FOR PREPARING STATINS DIPHARMA FRANCIS S.R.L. (IT) 2011-11-03 US disclosed
US-20110178295-A1 SYNTHESIS OF STATINS LEK PHARMACEUTICALS D.D. (SI) 2011-07-21 US disclosed
US-20110046375-A1 ((2S,4R)-4,6-DIHYDROXYTETRAHYDRO-2H-PYRAN-2-YL)METHYL CARBOXYLATE AND PROCESS FOR THE PRODUCTION THEREOF LEK PHARMACEUTICALS D.D. (SI) 2011-02-24 US disclosed
US-20080300406-A1 Process for the Synthesis of Hmg-Coa Reductase Inhibitors LEK PHARMACEUTICALS D.D. (SI) 2008-12-04 US disclosed
US-20080255170-A1 Process for the Synthesis of Rosuvastatin Calcium LEK PHARMACEUTICALS D.D (SI) 2008-10-16 US disclosed
US-20080140450-A1 Treatment of metabolic syndrome with norfluoxetine AMPLA PHARMACEUTICALS INC. (US) 2008-06-12 US disclosed
US-20070254897-A1 Compositions and methods for the treatment of cardiovascular disease RESOLVYX PHARMACEUTICALS, INC. (US) 2007-11-01 US 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 (11 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-20070254897-A1 Compositions and methods for the treatment of cardiovascular disease ALOX15B, ALOX5, ALOX15 HMGCR 32/4885ALDH1A1 1517/4885CYP3A4 2093/4885
US-20120101061-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION ALOX15B, ALOX5, ALOX12 HMGCR 137/4885ALDH1A1 2449/4885CYP3A4 1077/4885
US-20110046375-A1 ((2S,4R)-4,6-DIHYDROXYTETRAHYDRO-2H-PYRAN-2-YL)METHYL CARBOXYLATE AND PROCESS FOR THE PRODUCTION THEREOF HMGCR, CYP4A11, CYP4B1 HMGCR 1/4885ALDH1A1 621/4885CYP3A4 5/4885
US-20150141449-A1 KEY INTERMEDIATES FOR THE SYNTHESIS OF ROSUVASTATIN OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HMGCR, FDPS, SIRT5 HMGCR 1/4885ALDH1A1 2068/4885CYP3A4 32/4885
US-20080140450-A1 Treatment of metabolic syndrome with norfluoxetine ADRB3, FFAR3, SLC6A4 HMGCR 22/4885ALDH1A1 2779/4885CYP3A4 201/4885
US-20110269962-A1 PROCESS FOR PREPARING STATINS HMGCR, CYP51A1, PCSK9 HMGCR 1/4885ALDH1A1 3699/4885CYP3A4 19/4885
US-20080255170-A1 Process for the Synthesis of Rosuvastatin Calcium HMGCR, ME1, COASY HMGCR 1/4885ALDH1A1 1292/4885CYP3A4 151/4885
US-20110178295-A1 SYNTHESIS OF STATINS HMGCR, DHCR7, COASY HMGCR 1/4885ALDH1A1 1932/4885CYP3A4 25/4885
US-20120196333-A1 SYNTHESIS OF STATINS HMGCR, DHCR7, COASY HMGCR 1/4885ALDH1A1 1932/4885CYP3A4 25/4885
US-20080300406-A1 Process for the Synthesis of Hmg-Coa Reductase Inhibitors HMGCR, COASY, LSS HMGCR 1/4885ALDH1A1 889/4885CYP3A4 101/4885
US-20120022091-A1 KEY INTERMEDIATES FOR THE SYNTHESIS OF ROSUVASTATIN OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HMGCR, FDPS, SIRT5 HMGCR 1/4885ALDH1A1 2068/4885CYP3A4 32/4885

“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.