SCHEMBL5744342

SCHEMBL5744342

CS(=O)(=O)OC1CN1C(c1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.39
CYP3A4 P08684 4/20 0.39
ALOX15 P16050 1/20 0.38
OPRD1 P41143 4/20 0.38
TSHR P16473 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
PMP22 Q01453 1/20 0.37
SLC6A2 P23975 1/20 0.37
OPRM1 P35372 4/20 0.36
OPRK1 P41145 3/20 0.36
OPRL1 P41146 3/20 0.36
CYP2C19 P33261 2/20 0.35
USP2 O75604 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35

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
SCHEMBL5458873 0.80 OPRD1 (0.38) CYP2D6CYP3A4ALOX15OPRD1TSHR
SCHEMBL30642715 0.80 OPRD1 (0.38) CYP2D6CYP3A4ALOX15OPRD1TSHR
SCHEMBL5450723 0.80 OPRD1 (0.38) CYP2D6CYP3A4ALOX15OPRD1TSHR
SCHEMBL5458868 0.80 OPRD1 (0.38) CYP2D6CYP3A4ALOX15OPRD1TSHR
SCHEMBL5744645 0.80 CYP2D6 (0.45) CYP2D6CYP3A4OPRD1KMT2AMEN1
SCHEMBL24826487 0.79 CYP2D6 (0.36) CYP2D6CYP3A4ALOX15OPRD1TSHR
SCHEMBL70441 0.77 CYP2D6 (0.46) CYP2D6CYP3A4ALOX15TSHRKMT2A
SCHEMBL2849250 0.77 OPRD1 (0.36) CYP2D6CYP3A4ALOX15OPRD1TSHR
SCHEMBL2850422 0.77 OPRD1 (0.36) CYP2D6CYP3A4ALOX15OPRD1TSHR
SCHEMBL2849251 0.77 OPRD1 (0.36) CYP2D6CYP3A4ALOX15OPRD1TSHR

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 675/4885CYP3A4 188/4885ALOX15 4247/4885
US-20030176711-A1 Process for the production of sulfonic esters TST, STS, SELENOI CYP2D6 675/4885CYP3A4 188/4885ALOX15 4247/4885
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 1138/4885ALOX15 4477/4885

“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.