SCHEMBL6098204

SCHEMBL6098204

Cc1cccc(S(=O)(=O)C2(CCCBr)CCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.47
HTR1A P08908 2/20 0.41
HTR2A P28223 2/20 0.41
KMT2A Q03164 1/20 0.40
FBP1 P09467 7/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL6097398 0.83 HTR7 (0.63) HTR7HTR1AHTR2AGAA
SCHEMBL6099295 0.79 HTR7 (0.62) HTR7HTR1AHTR2AGAA
SCHEMBL6097493 0.76 HTR7 (0.55) HTR7HTR1AHTR2AKMT2AALDH1A1
SCHEMBL6098775 0.75 HTR7 (0.78) HTR7HTR1AHTR2AKMT2A
SCHEMBL6097856 0.68 HTR7 (0.35) HTR7HTR1AHTR2A
SCHEMBL12688444 0.66 KMT2A (0.41) HTR2AKMT2AFBP1ALDH1A1GAA
Hydrochloric Acid SCHEMBL7977476 0.66 HTR6 (0.40) KMT2AFBP1ALDH1A1GAA
SCHEMBL19692906 0.65 HTR6 (0.41) HTR7HTR1AHTR2AGAA
SCHEMBL29650249 0.65 HTR6 (0.41) HTR7HTR1AHTR2AGAA
SCHEMBL29038809 0.65 ITGB1 (0.49) KMT2AFBP1ALDH1A1GAA

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 HTR7 1/4885HTR1A 3/4885HTR2A 12/4885

“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.