SCHEMBL5743822

SCHEMBL5743822

Cc1ccc(S(=O)(=O)OC2CCN(Cc3ccccc3)CC2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
SCN1A P35498 4/20 0.49
SCN8A Q9UQD0 4/20 0.49
BCHE P06276 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
ACHE P22303 4/20 0.47
BACE1 P56817 3/20 0.47
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
POLB P06746 1/20 0.45
HTR2A P28223 1/20 0.44

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
SCHEMBL5743236 0.91 HTR6 (0.50) HTR6CYP1A2CYP2D6BCHESMN1; SMN2
SCHEMBL5745075 0.90 CYP1A2 (0.47) HTR6CYP1A2CYP2D6SCN1ASCN8A
SCHEMBL952495 0.85 HTR6 (0.53) HTR6CYP1A2CYP2D6BCHESMN1; SMN2
SCHEMBL952496 0.85 HTR6 (0.53) HTR6CYP1A2CYP2D6BCHESMN1; SMN2
SCHEMBL3562444 0.85 HTR6 (0.53) HTR6CYP1A2CYP2D6BCHESMN1; SMN2
SCHEMBL5744578 0.83 ACHE (0.50) CYP1A2CYP2D6SCN1ASCN8ABCHE
SCHEMBL5744572 0.82 CYP2D6 (0.57) HTR6CYP2D6SMN1; SMN2ACHEBACE1
SCHEMBL28508903 0.81 BCHE (0.52) HTR6CYP1A2CYP2D6BCHESMN1; SMN2
SCHEMBL5743312 0.81 BCHE (0.52) HTR6CYP1A2CYP2D6BCHESMN1; SMN2
SCHEMBL764713 0.80 ACHE (0.47) CYP1A2CYP2D6SCN1ASCN8ABCHE

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 HTR6 4175/4885CYP1A2 341/4885CYP2D6 675/4885
US-20030176711-A1 Process for the production of sulfonic esters TST, STS, SELENOI HTR6 4175/4885CYP1A2 341/4885CYP2D6 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 HTR6 3839/4885CYP1A2 1126/4885CYP2D6 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.