SCHEMBL3650388

SCHEMBL3650388

COC(=O)C[C@@H](O)CC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.49
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CA2 P00918 2/20 0.40
CA12 O43570 1/20 0.40
CA14 Q9ULX7 1/20 0.40
DGAT1 O75907 1/20 0.39
TSHR P16473 3/20 0.37
GAA P10253 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CA1 P00915 1/20 0.34
CA7 P43166 1/20 0.34
TET2 Q6N021 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL1155341 1.00 CYP2D6 (0.49) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL6154559 0.91 CYP2D6 (0.50) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL28243 0.84 TSHR (0.50) CA12CA14TSHRGAAHSD17B10
SCHEMBL3911629 0.83 SLC22A6 (0.54) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL3914001 0.83 SLC22A6 (0.54) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL25787717 0.83 CYP2D6 (0.45) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL12861679 0.83 CYP2D6 (0.49) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL3911627 0.83 SLC22A6 (0.54) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL19821805 0.82 CYP2D6 (0.35) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL28825762 0.82 CYP2D6 (0.44) CYP2D6HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178846-A1 ROSUVASTATIN INTERMEDIATES AND THEIR PREPARATION Teva Pharmaceutical Industries Ltd. (IL) 2010-04-28 EP disclosed
EP-2062903-A1 Statin intermediates and process for the preparation of statins Teva Pharmaceutical Industries Ltd. (IL) 2009-05-27 EP disclosed
US-20090076292-A1 Rosuvastatin intermediates and process for the preparation of rosuvastatin TEVA PHARMACEUTICAL INDUSTRIES LTD. 2009-03-19 US disclosed
US-20090069563-A1 Rosuvastatin intermediates and their preparation TEVA PHARMACEUTICALS USA, INC. 2009-03-12 US disclosed
EP-2032587-A2 ROSUVASTATIN INTERMEDIATES AND PROCESS FOR THE PREPARATION OF ROSUVASTATIN Teva Pharmaceutical Industries Ltd. (IL) 2009-03-11 EP disclosed
WO-2009009152-A1 ROSUVASTATIN INTERMEDIATES AND THEIR PREPARATION TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-01-15 WO disclosed
WO-2008130678-A2 ROSUVASTATIN INTERMEDIATES AND PROCESS FOR THE PREPARATION OF ROSUVASTATIN TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-10-30 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 (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-20090076292-A1 Rosuvastatin intermediates and process for the preparation of rosuvastatin HMGCR, PCSK9, CYP4A11 CYP2D6 524/4885HDAC3 581/4885HDAC1 956/4885
US-20090069563-A1 Rosuvastatin intermediates and their preparation HMGCR, PCSK9, PCSK7 CYP2D6 577/4885HDAC3 475/4885HDAC1 869/4885

“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.