SCHEMBL5746053

SCHEMBL5746053

CC(OS(C)(=O)=O)N(C)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
SLC6A2 P23975 1/20 0.50
HTR2A P28223 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRK1 P41145 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KCNH2 Q12809 1/20 0.50
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA2 P00918 1/20 0.41
HPGD P15428 1/20 0.41
AOC3 Q16853 1/20 0.40
RORC P51449 1/20 0.40
MMP13 P45452 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
SCHEMBL615515 0.77 ADRA2B (0.58) TSHRADRA2BADRA2CSLC6A2HTR2A
SCHEMBL530326 0.76 ADRA2B (0.67) TSHRADRA2BADRA2CSLC6A2HTR2A
SCHEMBL17443111 0.75 TSHR (0.45) TSHRADRA2BADRA2CSLC6A2HTR2A
SCHEMBL10768255 0.75 ADRA2B (0.51) TSHRADRA2BADRA2CSLC6A2HTR2A
SCHEMBL616041 0.74 ADRA2B (0.55) TSHRADRA2BADRA2CSLC6A2HTR2A
SCHEMBL3589541 0.73 TAAR1 (0.47) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7761190 0.73 ABCB1 (0.48) TSHRSLC6A2SLC6A3KMT2AALDH1A1
SCHEMBL21378558 0.73 TAAR1 (0.47) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL22441312 0.73 TAAR1 (0.47) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL3933981 0.72 TSHR (0.47) TSHRADRA2BADRA2CSLC6A2HTR2A

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 TSHR 467/4885ADRA2B 2995/4885ADRA2C 2798/4885
US-20030176711-A1 Process for the production of sulfonic esters TST, STS, SELENOI TSHR 467/4885ADRA2B 2995/4885ADRA2C 2798/4885
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 TSHR 395/4885ADRA2B 2272/4885ADRA2C 2421/4885

“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.