SCHEMBL5744290

SCHEMBL5744290

CC1C(OS(C)(=O)=O)CN1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.46
MAPT P10636 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
DRD2 P14416 4/20 0.39
DRD3 P35462 4/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL16394026 0.90 SLC6A4 (0.41) SLC6A4MAPTNR1H2NR1H3DRD2
SCHEMBL6997542 0.90 SLC6A4 (0.41) SLC6A4MAPTNR1H2NR1H3DRD2
SCHEMBL5744905 0.81 CYP1A2 (0.48) SLC6A4NR1H2NR1H3
SCHEMBL19034819 0.81 MAPT (0.48) MAPTNR1H2NR1H3DRD2DRD3
SCHEMBL7005925 0.81 MAPT (0.39) SLC6A4MAPTNR1H2NR1H3DRD2
SCHEMBL5745904 0.80 NR1H2 (0.43) MAPTNR1H2NR1H3SIGMAR1
SCHEMBL3833437 0.80 PTPN1 (0.48) DRD2SIGMAR1
SCHEMBL13379049 0.80 PTPN1 (0.48) DRD2SIGMAR1
SCHEMBL10522832 0.80 PTPN1 (0.48) DRD2SIGMAR1
SCHEMBL17427527 0.78 PDK1 (0.36) SLC6A4MAPTNR1H2NR1H3DRD2

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 SLC6A4 1393/4885MAPT 4202/4885NR1H2 1694/4885
US-20030176711-A1 Process for the production of sulfonic esters TST, STS, SELENOI SLC6A4 1393/4885MAPT 4202/4885NR1H2 1694/4885
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 SLC6A4 1033/4885MAPT 4003/4885NR1H2 2114/4885

“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.