SCHEMBL6097428

SCHEMBL6097428

Cc1ccccc1S(=O)(=O)C(C)(C)CCCBr

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
KMT2A Q03164 3/20 0.38
RAPGEF4 Q8WZA2 1/20 0.36
HSD11B1 P28845 1/20 0.34
MEN1 O00255 1/20 0.33
ESR1 P03372 1/20 0.33
GAA P10253 1/20 0.33
ESR2 Q92731 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HTR7 P34969 3/20 0.33
HTR1A P08908 2/20 0.33
DRD2 P14416 2/20 0.33
HTR2A P28223 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HTR1B P28222 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL24590368 0.81 RAPGEF4 (0.41) KEAP1NFE2L2KMT2ARAPGEF4HSD11B1
SCHEMBL6097229 0.79 HTR7 (0.48) HSD11B1ALDH1A1HTR7HTR1ADRD2
SCHEMBL6095635 0.75 ALDH1A1 (0.47) KMT2AMEN1GAAALDH1A1HTR7
SCHEMBL14389434 0.74 HSD11B1 (0.41) KMT2ARAPGEF4HSD11B1MEN1ESR1
SCHEMBL2733953 0.72 KEAP1 (0.59) KEAP1NFE2L2KMT2ARAPGEF4MEN1
SCHEMBL13900914 0.72 L3MBTL1 (0.43) KMT2ARAPGEF4HSD11B1MEN1ESR1
SCHEMBL2733941 0.71 KEAP1 (0.57) KEAP1NFE2L2KMT2ARAPGEF4MEN1
SCHEMBL2734226 0.71 KEAP1 (0.57) KEAP1NFE2L2KMT2ARAPGEF4MEN1
SCHEMBL2733958 0.71 KEAP1 (0.57) KEAP1NFE2L2KMT2ARAPGEF4MEN1
SCHEMBL6099900 0.70 HTR7 (0.35) KMT2AALDH1A1HTR7HTR1ADRD2

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-7101892-B2 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. 2006-09-05 US disclosed
US-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. (GB) 2004-11-18 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-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands HTR7, HTR2C, HTR1A KEAP1 3107/4885NFE2L2 1071/4885KMT2A 2168/4885

“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.