SCHEMBL5745804

SCHEMBL5745804

Cc1ccc(S(=O)(=O)OC2C(C)N2C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VDR P11473 1/20 0.40
NPY2R P49146 1/20 0.40
CYP2D6 P10635 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MMP2 P08253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 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
SCHEMBL5745057 0.83 CYP2D6 (0.36) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL5742744 0.78 CYP2D6 (0.48) VDRCYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL5744645 0.76 CYP2D6 (0.45) VDRNPY2RCYP2D6CYP1A2CYP3A4
SCHEMBL4673445 0.76 CYP2D6 (0.47) VDRCYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL5744694 0.74 CYP2D6 (0.47) VDRCYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL5745798 0.74 CYP2D6 (0.51) NPY2RCYP2D6CYP1A2CYP2C19GAA
SCHEMBL5743947 0.74 CYP2D6 (0.57) CYP2D6CYP1A2CYP3A4CYP2C19GAA
SCHEMBL5745958 0.73 LMNA (0.42) VDRCYP2D6CYP1A2CYP3A4GAA
SCHEMBL5742594 0.73 CYP3A4 (0.41) VDRCYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL2264882 0.72 CYP2D6 (0.52) CYP2D6CYP1A2CYP3A4CYP2C19ALDH1A1

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 VDR 4576/4885NPY2R 3630/4885CYP2D6 675/4885
US-20030176711-A1 Process for the production of sulfonic esters TST, STS, SELENOI VDR 4576/4885NPY2R 3630/4885CYP2D6 675/4885
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 VDR 4380/4885NPY2R 3156/4885CYP2D6 1620/4885

“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.