SCHEMBL2219461

SCHEMBL2219461

C=Cc1c(-c2ccc(F)cc2)nc(N(C)S(C)(=O)=O)nc1C(C)C

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.62
ALDH1A1 P00352 1/20 0.62
CYP3A4 P08684 1/20 0.62
PDE6D O43924 1/20 0.62
NR1I2 O75469 1/20 0.62
PDE4D Q08499 1/20 0.62
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
AKT1 P31749 2/20 0.49
GCGR P47871 1/20 0.46

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
SCHEMBL13538 0.89 HMGCR (0.61) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL8846682 0.88 HMGCR (0.60) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL10305922 0.87 HMGCR (0.64) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL696979 0.87 HMGCR (0.64) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL696978 0.87 HMGCR (0.64) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL22604013 0.86 HMGCR (0.61) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL12074037 0.86 HMGCR (0.68) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL22894711 0.86 HMGCR (0.60) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL8193721 0.86 HMGCR (0.63) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL4620964 0.85 HMGCR (0.54) 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017137469-A1 NOVEL CLASS OF COMPOUNDS FOR THE TREATMENT OF CARDIOVASCULAR DISEASE STICHTING KATHOLIEKE UNIVERSITEIT (NL) 2017-08-17 WO disclosed
EP-2788341-B1 PROCESS FOR THE PREPARATION OF A THIOPRECURSOR FOR STATINS DSM SINOCHEM PHARM NL BV (NL) 2017-04-05 EP 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-8394956-B2 Process for preparing pyrimidine propenaldehyde AUROBINDO PHARMA LTD. (IN) 2013-03-12 US disclosed
EP-2350025-A1 AN IMPROVED PROCESS FOR PREPARING PYRIMIDINE PROPENALDEHYDE Aurobindo Pharma Limited (IN) 2011-08-03 EP disclosed
US-20110178296-A1 Process for preparing pyrimidine propenaldehyde MALLELA SAMBHU PRASAD SARMA 2011-07-21 US disclosed
US-20110178296-A1 Process for preparing pyrimidine propenaldehyde MALLELA SAMBHU PRASAD SARMA 2011-07-21 US disclosed
US-7851624-B2 Triol form of rosuvastatin and synthesis of rosuvastatin TEVA PHARAMACEUTICAL INDUSTRIES LTD. (IL) 2010-12-14 US disclosed
US-7777056-B2 Method for manufacture of 4-hydroxy pyran-2-one derivatives LUPIN LTD. (IN) 2010-08-17 US disclosed
EP-1697338-A2 PROCESS FOR PREPARATION OF STATINS WITH HIGH SYN TO ANTI RATIO TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2006-09-06 EP disclosed
US-20050197501-A1 Processes for preparing calcium salt forms of statins TEVA PHARMACEUTICAL INDUSTRIES LTD. 2005-09-08 US disclosed
EP-1425287-A4 PROCESSES FOR PREPARING CALCIUM SALT FORMS OF STATINS TEVA PHARMA (IL) 2005-09-07 EP disclosed
US-20050159615-A1 Process for preparation of statins with high syn to anti ratio ENTIRE INTEREST. 2005-07-21 US disclosed
WO-2005063728-A2 PROCESS FOR PREPARATION OF STATINS WITH HIGH SYN TO ANTI RATIO TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2005-07-14 WO disclosed
US-20040176615-A1 Processes for preparing calcium salt forms of statins NIDDAM-HILDESHEIM VALERIE (IL) 2004-09-09 US disclosed
US-6777552-B2 FROM AN ESTER DERIVATIVE OR PROTECTED ESTER DERIVATIVE OF THE STATIN BY USING CALCIUM HYDROXIDE TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2004-08-17 US disclosed
EP-1425287-A1 PROCESSES FOR PREPARING CALCIUM SALT FORMS OF STATINS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-06-09 EP disclosed
US-20030114685-A1 Processes for preparing calcium salt forms of statins TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2003-06-19 US disclosed
WO-2003016317-A1 PROCESSES FOR PREPARING CALCIUM SALT FORMS OF STATINS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2003-02-27 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 (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-20050159615-A1 Process for preparation of statins with high syn to anti ratio HMGCR, SYNJ1, SYNJ2 HMGCR 1/4885ALDH1A1 4683/4885CYP3A4 1293/4885
US-20050197501-A1 Processes for preparing calcium salt forms of statins HMGCR, PCSK9, LIPA HMGCR 1/4885ALDH1A1 4578/4885CYP3A4 124/4885
US-20040176615-A1 Processes for preparing calcium salt forms of statins HMGCR, PCSK9, LIPA HMGCR 1/4885ALDH1A1 4578/4885CYP3A4 124/4885
US-20110178296-A1 Process for preparing pyrimidine propenaldehyde DPYD, NOX4, RPIA HMGCR 5/4885ALDH1A1 36/4885CYP3A4 63/4885
US-20030114685-A1 Processes for preparing calcium salt forms of statins HMGCR, PCSK9, LIPA HMGCR 1/4885ALDH1A1 4578/4885CYP3A4 124/4885

“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.