SCHEMBL5745189

SCHEMBL5745189

CS(=O)(=O)OC1CCCN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.44
CYP3A4 P08684 6/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 2/20 0.44
USP2 O75604 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.42
ALOX15 P16050 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A9 P48067 1/20 0.41
CYP1A2 P05177 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SCN9A Q15858 1/20 0.40
OPRM1 P35372 2/20 0.40

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
SCHEMBL2265275 0.92 CYP2D6 (0.45) CYP2D6CYP3A4TSHRCYP2C19USP2
SCHEMBL2264060 0.92 CYP2D6 (0.45) CYP2D6CYP3A4TSHRCYP2C19USP2
SCHEMBL70441 0.86 CYP2D6 (0.46) CYP2D6CYP3A4TSHRCYP2C19USP2
SCHEMBL5745490 0.83 CYP2D6 (0.50) CYP2D6CYP3A4TSHRCYP2C19USP2
SCHEMBL5746020 0.83 CYP2D6 (0.47) CYP2D6CYP3A4CYP2C19HTTSLC6A9
SCHEMBL5746257 0.80 SLC6A9 (0.43) CYP2D6CYP3A4TSHRCYP2C19USP2
SCHEMBL5514265 0.80 CYP2D6 (0.41) CYP2D6CYP3A4TSHRCYP2C19USP2
SCHEMBL5745187 0.80 KDM4E (0.47) CYP2D6CYP3A4TSHRCYP2C19USP2
SCHEMBL24238344 0.78 OPRM1 (0.42) CYP2D6CYP3A4TSHRCYP2C19USP2
SCHEMBL24238345 0.78 CYP2D6 (0.40) CYP2D6CYP3A4TSHRCYP2C19USP2

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 CYP2D6 675/4885CYP3A4 188/4885TSHR 467/4885
US-20030176711-A1 Process for the production of sulfonic esters TST, STS, SELENOI CYP2D6 675/4885CYP3A4 188/4885TSHR 467/4885
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 1620/4885CYP3A4 1138/4885TSHR 395/4885

“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.