SCHEMBL5745124

SCHEMBL5745124

CC1CCN(Cc2ccccc2)CC1OS(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.50
DRD2 P14416 2/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTR2A P28223 1/20 0.47
ALDH1A1 P00352 2/20 0.46
BCHE P06276 2/20 0.44
BACE1 P56817 2/20 0.44
HRH3 Q9Y5N1 1/20 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
SCHEMBL5744578 0.90 ACHE (0.50) ACHEDRD2RECQLSMN1; SMN2HTR2A
SCHEMBL15866138 0.88 PTPN1 (0.45) ACHEDRD2RECQLSMN1; SMN2HTR2A
SCHEMBL5745374 0.88 PTPN1 (0.45) ACHEDRD2RECQLSMN1; SMN2HTR2A
SCHEMBL9846453 0.88 PTPN1 (0.45) ACHEDRD2RECQLSMN1; SMN2HTR2A
SCHEMBL16090755 0.86 DRD2 (0.47) ACHEDRD2RECQLSMN1; SMN2HTR2A
SCHEMBL608204 0.85 SMN1; SMN2 (0.51) ACHEDRD2RECQLSMN1; SMN2HTR2A
SCHEMBL3273941 0.85 SMN1; SMN2 (0.51) ACHEDRD2RECQLSMN1; SMN2HTR2A
SCHEMBL608203 0.85 SMN1; SMN2 (0.51) ACHEDRD2RECQLSMN1; SMN2HTR2A
SCHEMBL3833437 0.84 PTPN1 (0.48) ACHEDRD2RECQLSMN1; SMN2HTR2A
SCHEMBL10522832 0.84 PTPN1 (0.48) ACHEDRD2RECQLSMN1; SMN2HTR2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105566321-B Heteroaromatic compounds and their use in medicine 广东东阳光药业有限公司 2020-04-21 CN disclosed
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 2146/4885DRD2 2351/4885RECQL 4357/4885
US-20030176711-A1 Process for the production of sulfonic esters TST, STS, SELENOI ACHE 2146/4885DRD2 2351/4885RECQL 4357/4885
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 1481/4885DRD2 1189/4885RECQL 4002/4885

“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.