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SCHEMBL2768

SCHEMBL2768

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GCGR P47871 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ALOX5 P09917 1/20 0.42
▸ SLC26A6 Q9BXS9 1/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ GRM6 O15303 1/20 0.41
▸ PRKCZ Q05513 1/20 0.41
▸ ADORA3 P0DMS8 3/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ GABRB2 P47870 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
SCHEMBL4756219 0.87 GCGR (0.54) PTGS2ALDH1A1GCGRKDM4ENPC1
SCHEMBL15481445 0.85 ALDH1A1 (0.47) PTGS2ALDH1A1L3MBTL1GCGRKDM4E
SCHEMBL28300691 0.83 PTGS2 (0.42) PTGS2ALDH1A1GCGRKDM4ERAB9A
SCHEMBL3313 0.83 HMGCR (0.54) PTGS2ALDH1A1L3MBTL1GCGRKDM4E
SCHEMBL3843460 0.83 PRKCZ (0.52) PTGS2ALDH1A1L3MBTL1GCGRKDM4E
SCHEMBL3206 0.82 GCGR (0.47) PTGS2ALDH1A1L3MBTL1GCGRKDM4E
SCHEMBL3135 0.81 ALDH1A1 (0.45) PTGS2ALDH1A1L3MBTL1GCGRKDM4E
SCHEMBL2211 0.81 ALDH1A1 (0.47) PTGS2ALDH1A1L3MBTL1GCGRKDM4E
SCHEMBL3589 0.81 ALDH1A1 (0.44) PTGS2ALDH1A1L3MBTL1GCGRKDM4E
SCHEMBL8199366 0.81 ALDH1A1 (0.44) PTGS2ALDH1A1L3MBTL1GCGRKDM4E

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20110178296-A1 Process for preparing pyrimidine propenaldehyde MALLELA SAMBHU PRASAD SARMA 2011-07-21 — — US disclosed
WO-2011083495-A2 PROCESS FOR THE PREPARATION OF DIHYDROXY PROTECTED DERIVATIVES AND NOVEL INTERMEDIATE COMPOUNDS MSN LABORATORIES LIMITED (IN) 2011-07-14 — — WO 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-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES CHEN JAMES M 2009-05-21 — — US disclosed
US-7407965-B2 Phosphonate analogs for treating metabolic diseases GILEAD SCIENCES, INC. (US) 2008-08-05 — — US disclosed
WO-2008059519-A2 A PROCESS FOR THE PREPARATION OF INTERMEDIATES OF ROSUVASTATIN GLENMARK PHARMACEUTICALS LIMITED (IN) 2008-05-22 — — WO disclosed
US-7371759-B2 HMG-CoA reductase inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-13 — — US 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 PTGS2 2892/4885ALDH1A1 2957/4885L3MBTL1 4877/4885
US-20090312547-A1 PROCESS FOR PREPARATION OF ROSUVASTATIN CALCIUM FIELD OF THE INVENTION CACNA1C, CACNG5, CACNA1A PTGS2 1847/4885ALDH1A1 2101/4885L3MBTL1 4829/4885
US-20110178296-A1 Process for preparing pyrimidine propenaldehyde DPYD, NOX4, RPIA PTGS2 554/4885ALDH1A1 36/4885L3MBTL1 4721/4885
US-20100029940-A1 PROCESS FOR PREPARING ROSUVASTATIN CALCIUM CACNA1E, SLC5A6, QDPR PTGS2 912/4885ALDH1A1 1563/4885L3MBTL1 4790/4885
US-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES PHOSPHO1, G6PC1, PC PTGS2 3281/4885ALDH1A1 2826/4885L3MBTL1 2593/4885

“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.