SCHEMBL5743312

SCHEMBL5743312

Cc1ccc(S(=O)(=O)OC2CCCN(Cc3ccccc3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.52
MAOB P27338 2/20 0.50
OPRM1 P35372 1/20 0.50
OPRK1 P41145 1/20 0.50
TMEM97 Q5BJF2 3/20 0.49
SIGMAR1 Q99720 3/20 0.49
CD4 P01730 2/20 0.49
SORT1 Q99523 1/20 0.49
HTR6 P50406 1/20 0.48
DRD4 P21917 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL28508903 1.00 BCHE (0.52) BCHEMAOBOPRM1OPRK1TMEM97
SCHEMBL952496 0.93 HTR6 (0.53) BCHEOPRM1OPRK1CD4SORT1
SCHEMBL952495 0.93 HTR6 (0.53) BCHEOPRM1OPRK1CD4SORT1
SCHEMBL3562444 0.93 HTR6 (0.53) BCHEOPRM1OPRK1CD4SORT1
SCHEMBL5746064 0.88 LMNA (0.49) BCHECD4SORT1HTR6SMN1; SMN2
SCHEMBL5744572 0.85 CYP2D6 (0.57) CD4SORT1HTR6SMN1; SMN2CYP2D6
SCHEMBL1943416 0.83 ACHE (0.53) BCHEMAOBOPRM1OPRK1CD4
SCHEMBL5745231 0.83 BCHE (0.58) BCHEMAOBSMN1; SMN2NPSR1CYP2D6
SCHEMBL19209909 0.83 BCHE (0.58) BCHEMAOBSMN1; SMN2NPSR1CYP2D6
SCHEMBL28497475 0.83 BCHE (0.58) BCHEMAOBSMN1; SMN2NPSR1CYP2D6

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 BCHE 745/4885MAOB 3129/4885OPRM1 2799/4885
US-20030176711-A1 Process for the production of sulfonic esters TST, STS, SELENOI BCHE 745/4885MAOB 3129/4885OPRM1 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 BCHE 903/4885MAOB 3182/4885OPRM1 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.