SCHEMBL5744645

SCHEMBL5744645

Cc1ccc(S(=O)(=O)OC2CN2C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.45
CYP1A2 P05177 1/20 0.45
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
VDR P11473 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 1/20 0.38
NPY2R P49146 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSG P08311 1/20 0.36
CMA1 P23946 1/20 0.36

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
SCHEMBL5742744 0.83 CYP2D6 (0.48) CYP2D6CYP1A2OPRM1OPRD1OPRK1
SCHEMBL4673445 0.81 CYP2D6 (0.47) CYP2D6CYP1A2OPRM1OPRD1OPRK1
SCHEMBL5744342 0.80 CYP2D6 (0.39) CYP2D6CYP1A2OPRM1OPRD1OPRK1
SCHEMBL2264882 0.77 CYP2D6 (0.52) CYP2D6CYP1A2OPRM1OPRD1OPRK1
SCHEMBL2265187 0.77 CYP2D6 (0.52) CYP2D6CYP1A2OPRM1OPRD1OPRK1
SCHEMBL5744694 0.77 CYP2D6 (0.47) CYP2D6CYP1A2OPRM1OPRD1OPRK1
SCHEMBL5743947 0.76 CYP2D6 (0.57) CYP2D6CYP1A2OPRM1OPRD1OPRK1
SCHEMBL5745804 0.76 VDR (0.40) CYP2D6CYP1A2CYP3A4CYP2C19VDR
SCHEMBL8534957 0.75 OPRM1 (0.48) CYP2D6CYP1A2OPRM1OPRD1OPRK1
SCHEMBL5746020 0.75 CYP2D6 (0.47) CYP2D6CYP1A2OPRM1OPRD1OPRK1

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-20030176711-A1 Process for the production of sulfonic esters KANEKA CORPORATION (JP) 2003-09-18 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-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 CYP2D6 675/4885CYP1A2 341/4885OPRM1 2799/4885
US-20030176711-A1 Process for the production of sulfonic esters TST, STS, SELENOI CYP2D6 675/4885CYP1A2 341/4885OPRM1 2799/4885
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 CYP2D6 1620/4885CYP1A2 1126/4885OPRM1 1372/4885

“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.