SCHEMBL2065728

SCHEMBL2065728

Cc1ccc(S(=O)(=O)OC[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 3/20 0.37
TSHR P16473 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HMGCR P04035 3/20 0.34
HDAC1 Q13547 3/20 0.34
HDAC2 Q92769 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
KDM4E B2RXH2 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
TOP2A P11388 1/20 0.31

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
SCHEMBL9283567 1.00 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL10024024 1.00 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL9268071 0.86 CYP3A4 (0.34) ALDH1A1CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL2065729 0.83 HMGCR (0.35) HMGCRHDAC1HDAC2HDAC6
SCHEMBL24088518 0.81 SLC12A2 (0.36) ALDH1A1CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL21855740 0.81 SLC12A2 (0.36) ALDH1A1CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL21855532 0.81 SLC12A2 (0.36) ALDH1A1CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL3386471 0.80 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL3386468 0.80 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL27228919 0.80 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2D6TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148550-B2 selected from fluvastatin, rosuvastatin, cerivastatin, glenvastatin or atorvastatin, by reduction or lactonization of chemical intermediate compounds, then hydrogenation, decyclization and deprotection of hydroxy groups RATIOPHARM GMBH (DE) 2012-04-03 US disclosed
US-20080249306-A1 Method for the Production of Statins RATIOPHARM GMBH (DE) 2008-10-09 US disclosed
US-20070093660-A1 Method for the production of statins RATIOPHARM GMBH (DE) 2007-04-26 US disclosed
US-5443970-A SEPARATION OF ISOMERS IN A MIXTURE BY SELECTIVE REACTION ZENECA LIMITED (GB) 1995-08-22 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 (2 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-20070093660-A1 Method for the production of statins HMGCR, CYP11A1, CYP51A1 ALDH1A1 673/4885CYP3A4 98/4885CYP2D6 122/4885
US-20080249306-A1 Method for the Production of Statins HMGCR, COASY, PCSK9 ALDH1A1 862/4885CYP3A4 95/4885CYP2D6 346/4885

“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.