SCHEMBL5744157

SCHEMBL5744157

CC1C(OS(C)(=O)=O)CN1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
NPY2R P49146 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL5745968 0.81 CYP2D6 (0.48) CYP2D6GAA
SCHEMBL5743623 0.80 L3MBTL1 (0.33) L3MBTL1CYP2D6MAPK1PIM1PIM3
SCHEMBL5745637 0.79 L3MBTL1 (0.34) L3MBTL1CYP2D6MAPK1PIM1PIM3
SCHEMBL30214804 0.77 L3MBTL1 (0.39) L3MBTL1CYP2D6PIM1PIM3
SCHEMBL5746067 0.75 CHRM3 (0.33) L3MBTL1PIM1PIM3NPY2R
SCHEMBL5744733 0.75 CHRM3 (0.33) L3MBTL1NPY2R
SCHEMBL5744154 0.75 CYP2D6 (0.39) L3MBTL1CYP2D6MAPK1NPY2RGAA
SCHEMBL5745361 0.74 NR3C2 (0.32) L3MBTL1
SCHEMBL5743643 0.74 PIM1 (0.37) L3MBTL1CYP2D6PIM1PIM3
SCHEMBL25368522 0.71 MMP2 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1288198-B1 PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS KANEKA CORP (JP) 2006-12-20 EP disclosed
US-6992205-B2 Process for the production of sulfonic esters KANEKA CORPORATION (JP) 2006-01-31 US disclosed
US-6864372-B2 Process for the production of sulfonic esters KANEKA CORPORATION (JP) 2005-03-08 US disclosed
US-6794519-B2 Process for the production of sulfonic esters KANEKA CORPORATION (JP) 2004-09-21 US disclosed
US-20030176713-A1 Reacting an amino alcohol derivative with organic sulfonyl halide in a mixed solvent composed of an aprotic organic solvent and water in presence of a non-water prohibiting inorganic base KANEKA CORPORATION (JP) 2003-09-18 US disclosed
US-20030176711-A1 Process for the production of sulfonic esters KANEKA CORPORATION (JP) 2003-09-18 US disclosed
US-20030162966-A1 PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS KANEKA CORPORATION (JP) 2003-08-28 US disclosed
EP-1288198-A1 PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS KANEKA CORPORATION (JP) 2003-03-05 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 (3 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-20030162966-A1 PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS TST, STS, SELENOI L3MBTL1 3101/4885CYP2D6 675/4885MAPK1 816/4885
US-20030176711-A1 Process for the production of sulfonic esters TST, STS, SELENOI L3MBTL1 3101/4885CYP2D6 675/4885MAPK1 816/4885
US-20030176713-A1 Reacting an amino alcohol derivative with organic sulfonyl halide in a mixed solvent composed of an aprotic organic solvent and water in presence of a non-water prohibiting inorganic base BRAF, ADH1C, TST L3MBTL1 2186/4885CYP2D6 1620/4885MAPK1 1036/4885

“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.