SCHEMBL6747779

SCHEMBL6747779

COCc1c(C(C)C)nc(C(C)C)c(C(C)C)c1-c1ccc(F)cc1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 19/20 0.74
ESR1 P03372 1/20 0.52
HMGCR P04035 1/20 0.52
CHRM1 P11229 1/20 0.52
TBXA2R P21731 1/20 0.52
PDE4A P27815 1/20 0.52
ADRA1A P35348 1/20 0.52

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
SCHEMBL7720729 0.91 GCGR (0.86) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL6871563 0.86 GCGR (0.74) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL3445407 0.86 GCGR (0.78) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL6953288 0.85 GCGR (1.00) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL3407031 0.83 GCGR (0.69) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL15029058 0.82 GCGR (0.73) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL7077308 0.82 GCGR (0.67) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL18947969 0.81 GCGR (0.70) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL12074145 0.81 GCGR (0.66) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL18947967 0.81 GCGR (0.70) GCGRESR1HMGCRCHRM1TBXA2R

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-8404841-B2 Process for the preparation of statins and their pharmaceutically acceptable salts thereof MSN LABORATORIES LIMITED (IN) 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-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-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-20110178295-A1 SYNTHESIS OF STATINS LEK PHARMACEUTICALS D.D. (SI) 2011-07-21 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-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-20100056783-A1 Novel Process for the Preparation of Statins and their Pharmaceutically Acceptable Salts thereof MSN LABORATORIES LIMITED (IN) 2010-03-04 US disclosed
US-20090275752-A1 Novel Process for Statins and its Pharmaceutically Acceptable Salts Thereof MSN LABORATORIES LIMITED (IN) 2009-11-05 US disclosed
US-20090275752-A1 Novel Process for Statins and its Pharmaceutically Acceptable Salts Thereof MSN LABORATORIES LIMITED (IN) 2009-11-05 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20110046375-A1 ((2S,4R)-4,6-DIHYDROXYTETRAHYDRO-2H-PYRAN-2-YL)METHYL CARBOXYLATE AND PROCESS FOR THE PRODUCTION THEREOF HMGCR, CYP4A11, CYP4B1 GCGR 2629/4885ESR1 4120/4885HMGCR 1/4885
US-20080255170-A1 Process for the Synthesis of Rosuvastatin Calcium HMGCR, ME1, COASY GCGR 3070/4885ESR1 3656/4885HMGCR 1/4885
US-20100056783-A1 Novel Process for the Preparation of Statins and their Pharmaceutically Acceptable Salts thereof HMGCR, PCSK9, NPC1L1 GCGR 972/4885ESR1 4725/4885HMGCR 1/4885
US-20110178295-A1 SYNTHESIS OF STATINS HMGCR, DHCR7, COASY GCGR 2504/4885ESR1 3340/4885HMGCR 1/4885
US-20120196333-A1 SYNTHESIS OF STATINS HMGCR, DHCR7, COASY GCGR 2504/4885ESR1 3340/4885HMGCR 1/4885
US-20090275752-A1 Novel Process for Statins and its Pharmaceutically Acceptable Salts Thereof HMGCR, NPC1L1, PCSK9 GCGR 1528/4885ESR1 4822/4885HMGCR 1/4885
US-20080300406-A1 Process for the Synthesis of Hmg-Coa Reductase Inhibitors HMGCR, COASY, LSS GCGR 1741/4885ESR1 3703/4885HMGCR 1/4885

“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.