SCHEMBL5744578

SCHEMBL5744578

CC1CN(Cc2ccccc2)CCC1OS(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.50
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTR2A P28223 1/20 0.47
SCN1A P35498 2/20 0.46
SCN8A Q9UQD0 2/20 0.46
DRD2 P14416 1/20 0.45
BCHE P06276 2/20 0.44
BACE1 P56817 2/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
CCR3 P51677 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL5745124 0.90 ACHE (0.50) ACHERECQLSMN1; SMN2HTR2ADRD2
SCHEMBL15866138 0.88 PTPN1 (0.45) ACHERECQLSMN1; SMN2HTR2ADRD2
SCHEMBL9846453 0.88 PTPN1 (0.45) ACHERECQLSMN1; SMN2HTR2ADRD2
SCHEMBL5745374 0.88 PTPN1 (0.45) ACHERECQLSMN1; SMN2HTR2ADRD2
SCHEMBL14457009 0.86 ACHE (0.47) ACHERECQLSMN1; SMN2HTR2ASCN1A
SCHEMBL764713 0.86 ACHE (0.47) ACHERECQLSMN1; SMN2HTR2ASCN1A
SCHEMBL5743822 0.83 HTR6 (0.50) ACHESMN1; SMN2HTR2ASCN1ASCN8A
SCHEMBL16090755 0.83 DRD2 (0.47) ACHERECQLSMN1; SMN2HTR2ADRD2
SCHEMBL608203 0.82 SMN1; SMN2 (0.51) ACHERECQLSMN1; SMN2HTR2ADRD2
SCHEMBL3273941 0.82 SMN1; SMN2 (0.51) ACHERECQLSMN1; SMN2HTR2ADRD2

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 ACHE 2146/4885RECQL 4357/4885SMN1; SMN2 1882/4885
US-20030176711-A1 Process for the production of sulfonic esters TST, STS, SELENOI ACHE 2146/4885RECQL 4357/4885SMN1; SMN2 1882/4885
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 ACHE 1481/4885RECQL 4002/4885SMN1; SMN2 1828/4885

“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.