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Sugi Predict / Compounds / SCHEMBL6804623

SCHEMBL6804623

SCHEMBL6804623

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 6/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ PDE6D O43924 1/20 0.55
▸ NR1I2 O75469 1/20 0.55
▸ PDE4D Q08499 1/20 0.55
▸ ABCC3 O15438 1/20 0.53
▸ ABCC4 O15439 1/20 0.53
▸ HDAC1 Q13547 1/20 0.52
▸ HDAC2 Q92769 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ AKT1 P31749 2/20 0.49
▸ PTGS1 P23219 2/20 0.39
▸ PTGS2 P35354 2/20 0.39
▸ KDM5B Q9UGL1 1/20 0.39

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
SCHEMBL2217238 0.91 HMGCR (0.57) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL2364140 0.87 HMGCR (0.52) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL431291 0.87 HMGCR (0.55) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL4620964 0.86 HMGCR (0.54) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL14403869 0.86 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL2341001 0.86 HMGCR (0.54) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL2347371 0.86 HMGCR (0.54) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL2339006 0.86 HMGCR (0.54) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL14762045 0.85 HMGCR (0.57) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL4914199 0.85 HMGCR (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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9085538-B2 Process for the preparation of key intermediates for the synthesis of statins or pharmaceutically acceptable salts thereof LEK PHARMACEUTICALS D.D. (SI) 2015-07-21 — — US disclosed
US-20140051854-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS D.D. (SI) 2014-02-20 — — US disclosed
US-8455640-B2 Process for statins and its pharmaceutically acceptable salts thereof MSN LABORATORIES LIMITED (IN) 2013-06-04 — — US disclosed
US-20130096303-A1 PROCESS FOR THE PREPARATION OF HMG-COA REDUCTASE INHIBITORS AND INTERMEDIATES THEREOF YUHAN CORPORATION (KR) 2013-04-18 — — 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-8404841-B2 Process for the preparation of statins and their pharmaceutically acceptable salts thereof MSN LABORATORIES LIMITED (IN) 2013-03-26 — — 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-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-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-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-20140051854-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HMGCR, PCSK9, FAH HMGCR 1/4885ALDH1A1 2643/4885CYP3A4 47/4885
US-20080255170-A1 Process for the Synthesis of Rosuvastatin Calcium HMGCR, ME1, COASY HMGCR 1/4885ALDH1A1 1292/4885CYP3A4 151/4885
US-20100056783-A1 Novel Process for the Preparation of Statins and their Pharmaceutically Acceptable Salts thereof HMGCR, PCSK9, NPC1L1 HMGCR 1/4885ALDH1A1 1715/4885CYP3A4 13/4885
US-20110178295-A1 SYNTHESIS OF STATINS HMGCR, DHCR7, COASY HMGCR 1/4885ALDH1A1 1932/4885CYP3A4 25/4885
US-20130096303-A1 PROCESS FOR THE PREPARATION OF HMG-COA REDUCTASE INHIBITORS AND INTERMEDIATES THEREOF HMGCR, COASY, PCSK9 HMGCR 1/4885ALDH1A1 2644/4885CYP3A4 67/4885
US-20090275752-A1 Novel Process for Statins and its Pharmaceutically Acceptable Salts Thereof HMGCR, NPC1L1, PCSK9 HMGCR 1/4885ALDH1A1 1466/4885CYP3A4 43/4885
US-20080300406-A1 Process for the Synthesis of Hmg-Coa Reductase Inhibitors HMGCR, COASY, LSS HMGCR 1/4885ALDH1A1 889/4885CYP3A4 101/4885

“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.