SCHEMBL3313

SCHEMBL3313

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.54
ALDH1A1 P00352 3/20 0.54
CYP3A4 P08684 1/20 0.54
PDE6D O43924 1/20 0.54
NR1I2 O75469 1/20 0.54
PDE4D Q08499 1/20 0.54
ABCC3 O15438 1/20 0.52
ABCC4 O15439 1/20 0.52
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
PTGS2 P35354 1/20 0.47
AKT1 P31749 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.41
GCGR P47871 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL15000315 0.92 HMGCR (0.52) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL3135 0.92 ALDH1A1 (0.45) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL1752130 0.89 HMGCR (0.56) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL7046242 0.88 HMGCR (0.53) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL13847948 0.88 ALDH1A1 (0.42) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL2880 0.87 PTGS2 (0.45) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL7922156 0.86 ALDH1A1 (0.43) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL15014916 0.86 PTGS2 (0.46) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL13847940 0.86 ALDH1A1 (0.41) HMGCRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL13847937 0.85 ALDH1A1 (0.41) 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 37 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-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-8703944-B2 Method for preparing rosuvastatin calcium intermediate PORTON FINE CHEMICALS LTD. (CN) 2014-04-22 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-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-8476432-B2 Process for the preparation of HMG-COA reductase inhibitors and intermediates thereof YUHAN CORPORATION (KR) 2013-07-02 US disclosed
US-20130143908-A1 METHOD FOR PREPARING ROSUVASTATIN CALCIUM INTERMEDIATE PORTON FINE CHEMICALS LTD. (CN) 2013-06-06 US disclosed
EP-2588474-A2 PROCESS FOR THE PREPARATION OF HMG-COA REDUCTASE INHIBITORS AND INTERMEDIATES THEREOF Yuhan Corporation (KR) 2013-05-08 EP disclosed
US-8394956-B2 Process for preparing pyrimidine propenaldehyde AUROBINDO PHARMA LTD. (IN) 2013-03-12 US disclosed
US-20040181065-A1 Process for preparing 2-amino-4-(4-fluorphenyl) -6-alkylpyrimidine-5-carboxylate VEITH ULRICH (CH) 2004-09-16 US disclosed
US-6710178-B2 CYCLIZATION REACTION OF A 2-(-1-AMINO-1-(4- FLOUROPHENYL )METHYLENE)-4-ALKYL-3-OXO-ALKANOIC ACID ESTER AND AN N-CYANO-N-ALKYLALKANESULFONAMIDE LONZA AG (CH) 2004-03-23 US disclosed
US-20030199695-A1 Preparation of 4-(4-flourophenyl)-6-alkyl-2-N-alkansulfonyl-N-alkylamino)pyrimidine-5-carboxylic acid ester. VEITH ULRICH (CH) 2003-10-23 US disclosed
US-6579984-B1 Economical, industrially feasible LONZA AG (CH) 2003-06-17 US disclosed
EP-1194414-A1 PROCESS FOR PREPARING 2-AMINO-4-(4-FLUORPHENYL)-6-ALKYLPYRIMIDINE-5-CARBOXYLATE Lonza AG (CH) 2002-04-10 EP disclosed
US-RE37314-E1 Pyrimidine derivatives SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 2001-08-07 US disclosed
WO-2001004100-A1 PROCESS FOR PREPARING 2-AMINO-4-(4-FLUORPHENYL)-6-ALKYLPYRIMIDINE-5-CARBOXYLATE LONZA AG (CH) 2001-01-18 WO 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 (4 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-20130143908-A1 METHOD FOR PREPARING ROSUVASTATIN CALCIUM INTERMEDIATE HMGCR, PCSK9, CACNA1E HMGCR 1/4885ALDH1A1 1226/4885CYP3A4 133/4885
US-20030199695-A1 Preparation of 4-(4-flourophenyl)-6-alkyl-2-N-alkansulfonyl-N-alkylamino)pyrimidine-5-carboxylic acid ester. PFAS, F7, AFF1 HMGCR 3328/4885ALDH1A1 299/4885CYP3A4 409/4885
US-20040181065-A1 Process for preparing 2-amino-4-(4-fluorphenyl) -6-alkylpyrimidine-5-carboxylate ALKBH1, F7, CYP2B6 HMGCR 3914/4885ALDH1A1 359/4885CYP3A4 99/4885

“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.