SCHEMBL4204341

SCHEMBL4204341

COc1ccc(NS(=O)(=O)c2cccc(-c3ccccc3)c2)c2c1C[C@@H](N(C)C)CO2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.48
ACLY P53396 9/20 0.47
HTR6 P50406 3/20 0.42
QRFPR Q96P65 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
PTGES2 Q9H7Z7 3/20 0.40
HTR7 P34969 1/20 0.39

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
SCHEMBL4204509 0.94 ACLY (0.43) GHSRACLYHTR6QRFPRKEAP1
SCHEMBL4201831 0.92 ACLY (0.46) GHSRACLYHTR6QRFPRKEAP1
SCHEMBL4209213 0.91 HTR6 (0.47) HTR6QRFPRKEAP1NFE2L2HTR7
SCHEMBL4201660 0.89 ALDH1A1 (0.46) HTR6QRFPRKEAP1NFE2L2HTR7
SCHEMBL4204125 0.89 KEAP1 (0.49) GHSRHTR6QRFPRKEAP1NFE2L2
SCHEMBL4210799 0.88 HTR6 (0.42) HTR6QRFPRKEAP1NFE2L2HTR7
SCHEMBL4196123 0.88 GHSR (0.47) GHSRHTR6QRFPRKEAP1NFE2L2
SCHEMBL4967087 0.88 GHSR (0.47) GHSRHTR6QRFPRKEAP1NFE2L2
SCHEMBL4201079 0.88 HTR6 (0.50) ACLYHTR6QRFPRPTGES2HTR7
Acetic Acid SCHEMBL4208418 0.88 HTR6 (0.44) ACLYHTR6QRFPRHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030038-A1 Novel 8-Sulfonylamino-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5Ht6 Receptor ASTRAZENECA AB (SE) 2009-01-29 US claimed
US-20090030038-A1 Novel 8-Sulfonylamino-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5Ht6 Receptor ASTRAZENECA AB (SE) 2009-01-29 US disclosed
EP-1888517-A1 NOVEL 8-SULFONYLAMINO-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR AstraZeneca AB (SE) 2008-02-20 EP disclosed
WO-2006126939-A1 NOVEL 8-SULFONYLAMINO-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR ASTRAZENECA AB (SE) 2006-11-30 WO 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-20090030038-A1 Novel 8-Sulfonylamino-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5Ht6 Receptor HTR6, HTR1A, HTR1D GHSR 283/4885ACLY 4002/4885HTR6 1/4885

“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.