SCHEMBL2293455

SCHEMBL2293455

CCCCCC[n+]1ccn(C)c1.CCS(=O)(=O)[O-]

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

FGFR1FGFR2FGFR3FGFR4FLT1FLT4KDRPDGFRAPDGFRB

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.41
ESR1 P03372 1/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
ACHE P22303 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
PDE4A P27815 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL15170121 0.94 ABCB11 (0.41) ABCB11ESR1PGRCHRM2HTR1A
Sulfuric Acid SCHEMBL18091450 0.94 ABCB11 (0.41) ABCB11ESR1PGRCHRM2HTR1A
SCHEMBL13517069 0.94 ABCB11 (0.41) ABCB11ESR1PGRCHRM2HTR1A
SCHEMBL2295222 0.94 ABCB11 (0.41) ABCB11ESR1PGRCHRM2HTR1A
Sulfuric Acid SCHEMBL3687199 0.94 ABCB11 (0.41) ABCB11ESR1PGRCHRM2HTR1A
SCHEMBL28652452 0.94 KDM4E (0.37)
SCHEMBL4266264 0.93
Sulfuric Acid SCHEMBL18112165 0.92 MEN1 (0.40) ABCB11ESR1PGRCHRM2HTR1A
Sulfuric Acid SCHEMBL1293400 0.92 MEN1 (0.40) ABCB11ESR1PGRCHRM2HTR1A
Sulfuric Acid SCHEMBL1293066 0.92 MEN1 (0.40) ABCB11ESR1PGRCHRM2HTR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7999111-B2 Reacting an onium halide or carboxylate with a symmetrically substituted dialkyl sulfite or with an asymmetrically substituted dialkyl sulfite; 1-hexyl-3-methylimidazolium chloride and dimethyl sulfite; 1-Hexyl-3-methylimidazolium methanesulfonate MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-16 US disclosed
US-20080221334-A1 Process for the Preparation of Onium Alkylsulfonates MERCK PATENT GESELLSCHAFT (DE) 2008-09-11 US 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 (1 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-20080221334-A1 Process for the Preparation of Onium Alkylsulfonates STS, ARSA, AGPS ABCB11 3450/4885ESR1 3407/4885PGR 4297/4885

“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.