SCHEMBL5744517

SCHEMBL5744517

Cc1ccccc1S(=O)(=O)O.O[C@H]1CCN(Cc2ccccc2)C1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
SCN4A P35499 2/20 0.49
SPHK1 Q9NYA1 2/20 0.48
SPHK2 Q9NRA0 1/20 0.48
POLB P06746 1/20 0.46
HTR2A P28223 1/20 0.44
ACHE P22303 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HTR6 P50406 1/20 0.43
LTA4H P09960 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
OPRK1 P41145 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5744592 0.86 ALDH1A1 (0.66) ALDH1A1SCN4ASPHK1SPHK2HTR2A
SCHEMBL5743125 0.86 ALDH1A1 (0.66) ALDH1A1SCN4ASPHK1SPHK2HTR2A
SCHEMBL5744519 0.84 ALDH1A1 (0.57) ALDH1A1SPHK1SPHK2POLBHTR2A
SCHEMBL5745819 0.84 ALDH1A1 (0.57) ALDH1A1SPHK1SPHK2POLBHTR2A
SCHEMBL6982309 0.84 ALDH1A1 (0.57) ALDH1A1SPHK1SPHK2POLBHTR2A
SCHEMBL608225 0.81 ALDH1A1 (0.81) ALDH1A1ACHENPC1RAB9ALTA4H
SCHEMBL741364 0.81 ALDH1A1 (0.81) ALDH1A1ACHENPC1RAB9ALTA4H
SCHEMBL72716 0.81 ALDH1A1 (0.81) ALDH1A1ACHENPC1RAB9ALTA4H
Water SCHEMBL2362659 0.80 ALDH1A1 (0.78) ALDH1A1ACHENPC1RAB9ALTA4H
SCHEMBL5745229 0.78 ALDH1A1 (0.81) ALDH1A1POLBACHELTA4HMEN1

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 ALDH1A1 646/4885SCN4A 145/4885SPHK1 2449/4885
US-20030176711-A1 Process for the production of sulfonic esters TST, STS, SELENOI ALDH1A1 646/4885SCN4A 145/4885SPHK1 2449/4885
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 ALDH1A1 498/4885SCN4A 241/4885SPHK1 2959/4885

“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.