SCHEMBL5745374

SCHEMBL5745374

CC1CN(Cc2ccccc2)CC1OS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
FUCA1 P04066 2/20 0.43
ACHE P22303 1/20 0.43
DRD2 P14416 2/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41
HTR2A P28223 1/20 0.40
LMNA P02545 1/20 0.40
SIGMAR1 Q99720 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
SCHEMBL9846453 1.00 PTPN1 (0.45) PTPN1FUCA1ACHEDRD2RECQL
SCHEMBL15866138 1.00 PTPN1 (0.45) PTPN1FUCA1ACHEDRD2RECQL
SCHEMBL13379049 0.91 PTPN1 (0.48) PTPN1FUCA1ACHEDRD2RECQL
SCHEMBL10522832 0.91 PTPN1 (0.48) PTPN1FUCA1ACHEDRD2RECQL
SCHEMBL3833437 0.91 PTPN1 (0.48) PTPN1FUCA1ACHEDRD2RECQL
SCHEMBL5745124 0.88 ACHE (0.50) ACHEDRD2RECQLSMN1; SMN2CYP2D6
SCHEMBL5744578 0.88 ACHE (0.50) ACHEDRD2RECQLSMN1; SMN2CYP2D6
SCHEMBL12347368 0.85 PTPN1 (0.42) PTPN1FUCA1ACHEDRD2RECQL
SCHEMBL18453426 0.84 PTPN1 (0.44) PTPN1FUCA1ACHEDRD2RECQL
SCHEMBL4440958 0.84 PTPN1 (0.44) PTPN1FUCA1DRD2RECQLSMN1; SMN2

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
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
EP-0443498-A1 Isoindoline derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 1991-08-28 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 PTPN1 63/4885FUCA1 3521/4885ACHE 2146/4885
US-20030176711-A1 Process for the production of sulfonic esters TST, STS, SELENOI PTPN1 63/4885FUCA1 3521/4885ACHE 2146/4885
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 PTPN1 54/4885FUCA1 4125/4885ACHE 1481/4885

“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.