SCHEMBL5745075

SCHEMBL5745075

Cc1ccc(S(=O)(=O)OC2CN(Cc3ccccc3)CC2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CD4 P01730 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
SORT1 Q99523 1/20 0.43
HTR6 P50406 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.43
SCN1A P35498 2/20 0.41
SCN8A Q9UQD0 2/20 0.41
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
BCHE P06276 1/20 0.40
PTPN1 P18031 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL5743822 0.90 HTR6 (0.50) CYP1A2CYP2D6LMNAPOLBALDH1A1
SCHEMBL5743236 0.90 HTR6 (0.50) CYP1A2CYP2D6LMNAPOLBALDH1A1
SCHEMBL5746064 0.85 LMNA (0.49) CYP1A2CYP2D6LMNAPOLBALDH1A1
SCHEMBL9846568 0.83 PTPN1 (0.40) ALDH1A1TSHRSCN1ASCN8AS1PR1
SCHEMBL9846569 0.83 PTPN1 (0.40) ALDH1A1TSHRSCN1ASCN8AS1PR1
SCHEMBL15866138 0.82 PTPN1 (0.45) CYP2D6LMNASMN1; SMN2S1PR1S1PR5
SCHEMBL9846453 0.82 PTPN1 (0.45) CYP2D6LMNASMN1; SMN2S1PR1S1PR5
SCHEMBL5745374 0.82 PTPN1 (0.45) CYP2D6LMNASMN1; SMN2S1PR1S1PR5
SCHEMBL5744905 0.81 CYP1A2 (0.48) CYP1A2CYP2D6LMNAPOLBALDH1A1
SCHEMBL12347368 0.79 PTPN1 (0.42) CYP2D6CYP3A4CYP2C19SMN1; SMN2S1PR1

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 CYP1A2 341/4885CYP2D6 675/4885LMNA 3382/4885
US-20030176711-A1 Process for the production of sulfonic esters TST, STS, SELENOI CYP1A2 341/4885CYP2D6 675/4885LMNA 3382/4885
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 CYP1A2 1126/4885CYP2D6 1620/4885LMNA 2764/4885

“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.