SCHEMBL3589

SCHEMBL3589

CCOC(=O)c1c(-c2ccc(F)cc2)nc(SC)nc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GCGR P47871 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PTGS2 P35354 2/20 0.43
ADORA3 P0DMS8 5/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
GRM6 O15303 1/20 0.42
PRKCZ Q05513 1/20 0.42
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
TP53 P04637 1/20 0.41
ALOX5 P09917 1/20 0.41

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
SCHEMBL945897 0.87 GCGR (0.55) ALDH1A1GCGRKDM4ENPC1MAPT
SCHEMBL13847943 0.87 GCGR (0.43) ALDH1A1L3MBTL1GCGRKDM4ENPC1
SCHEMBL15481445 0.86 ALDH1A1 (0.47) ALDH1A1L3MBTL1GCGRKDM4ENPC1
SCHEMBL3843460 0.84 PRKCZ (0.52) ALDH1A1L3MBTL1GCGRKDM4ENPC1
SCHEMBL7013481 0.84 MAPT (0.51) ALDH1A1L3MBTL1KDM4ENPC1MAPT
SCHEMBL10129581 0.83 DHODH (0.44) ALDH1A1L3MBTL1GCGRMAPTTP53
SCHEMBL3206 0.83 GCGR (0.47) ALDH1A1L3MBTL1GCGRKDM4ENPC1
SCHEMBL2211 0.82 ALDH1A1 (0.47) ALDH1A1L3MBTL1GCGRKDM4ENPC1
SCHEMBL8199366 0.82 ALDH1A1 (0.44) ALDH1A1L3MBTL1GCGRKDM4ENPC1
SCHEMBL9562753 0.81 ADORA3 (0.52) ALDH1A1KDM4ENPC1MAPTHPGD

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
EP-2598484-B1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS (SI) 2016-06-29 EP disclosed
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-8394956-B2 Process for preparing pyrimidine propenaldehyde AUROBINDO PHARMA LTD. (IN) 2013-03-12 US disclosed
US-8394956-B2 Process for preparing pyrimidine propenaldehyde AUROBINDO PHARMA LTD. (IN) 2013-03-12 US disclosed
US-8318933-B2 Process for preparing rosuvastatin calcium AUROBINDO PHARMA LTD (IN) 2012-11-27 US disclosed
US-8212034-B2 Process for preparing rosuvastatin calcium AUROBINDO PHARMA LTD. (IN) 2012-07-03 US disclosed
US-8212035-B2 Process for preparation of rosuvastatin calcium field of the invention AUROBINDO PHARMA LTD. (IN) 2012-07-03 US disclosed
US-8212035-B2 Process for preparation of rosuvastatin calcium field of the invention AUROBINDO PHARMA LTD. (IN) 2012-07-03 US disclosed
EP-2423195-A1 Process for the preparation of key intermediates for the synthesis of statins or pharmaceutically acceptable salts thereof LEK Pharmaceuticals d.d. (SI) 2012-02-29 EP disclosed
US-20110178296-A1 Process for preparing pyrimidine propenaldehyde MALLELA SAMBHU PRASAD SARMA 2011-07-21 US disclosed
US-20100048899-A1 PROCESS FOR PREPARING ROSUVASTATIN CALCIUM AUROBINDO PHARMA LTD (IN) 2010-02-25 US disclosed
US-20100029940-A1 PROCESS FOR PREPARING ROSUVASTATIN CALCIUM AUROBINDO PHARMA LTD (IN) 2010-02-04 US disclosed
US-20090312547-A1 PROCESS FOR PREPARATION OF ROSUVASTATIN CALCIUM FIELD OF THE INVENTION AUROBINDO PHARMA LTD (IN) 2009-12-17 US disclosed
US-20090312547-A1 PROCESS FOR PREPARATION OF ROSUVASTATIN CALCIUM FIELD OF THE INVENTION AUROBINDO PHARMA LTD (IN) 2009-12-17 US disclosed
WO-2008096257-A1 AN IMPROVED PROCESS FOR PREPARATION OF ROSUVASTATIN CALCIUM AUROBINDO PHARMA LIMITED (IN) 2008-08-14 WO disclosed
US-RE37314-E1 Pyrimidine derivatives SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 2001-08-07 US disclosed
EP-0521471-B1 Pyrimidine derivatives as HMG-CoA reductase inhibitors SHIONOGI & CO (JP) 2000-10-25 EP disclosed
US-5260440-A Anticholesterol agents SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-11-09 US disclosed
EP-0521471-A1 Pyrimidine derivatives as HMG-CoA reductase inhibitors SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-01-07 EP 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 (5 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-20100048899-A1 PROCESS FOR PREPARING ROSUVASTATIN CALCIUM CACNA1I, CACNA1S, CACNA1F ALDH1A1 2957/4885L3MBTL1 4877/4885GCGR 1922/4885
US-20140051854-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HMGCR, PCSK9, FAH ALDH1A1 2643/4885L3MBTL1 3336/4885GCGR 2328/4885
US-20090312547-A1 PROCESS FOR PREPARATION OF ROSUVASTATIN CALCIUM FIELD OF THE INVENTION CACNA1C, CACNG5, CACNA1A ALDH1A1 2101/4885L3MBTL1 4829/4885GCGR 3151/4885
US-20110178296-A1 Process for preparing pyrimidine propenaldehyde DPYD, NOX4, RPIA ALDH1A1 36/4885L3MBTL1 4721/4885GCGR 2274/4885
US-20100029940-A1 PROCESS FOR PREPARING ROSUVASTATIN CALCIUM CACNA1E, SLC5A6, QDPR ALDH1A1 1563/4885L3MBTL1 4790/4885GCGR 2695/4885

“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.