SCHEMBL4530529

SCHEMBL4530529

COc1ccc(S(=O)(=O)Nc2cccc(C#N)c2)c2c1C[C@@H](N(C)C)CO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
HTR6 P50406 2/20 0.44
QRFPR Q96P65 1/20 0.44
ALPL P05186 2/20 0.43
HSD11B1 P28845 1/20 0.43
HSD17B2 P37059 1/20 0.43
SLC22A12 Q96S37 2/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTR7 P34969 1/20 0.38
CPT1A P50416 1/20 0.38
CPT1B Q92523 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ACLY P53396 1/20 0.38
TRIM24 O15164 1/20 0.37
BRD4 O60885 1/20 0.37
BRD1 O95696 1/20 0.37
BRPF1 P55201 1/20 0.37
BRD9 Q9H8M2 1/20 0.37

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
SCHEMBL4522186 0.89 SLC22A12 (0.44) TP53HTR6QRFPRALPLHSD11B1
SCHEMBL4517560 0.89 HTR6 (0.44) HTR6QRFPRALPLSLC22A12MEN1
SCHEMBL4527056 0.86 TP53 (0.48) TP53HTR6ALPLHSD11B1HSD17B2
SCHEMBL4514124 0.86 HTR6 (0.46) HTR6QRFPRHSD11B1HSD17B2MEN1
SCHEMBL4516094 0.81 HTR6 (0.52) TP53HTR6QRFPRALPLHSD11B1
SCHEMBL4202460 0.81 HTR6 (0.51) TP53HTR6QRFPRALPLSLC22A12
SCHEMBL4504853 0.80 HTR6 (0.53) TP53HTR6QRFPRALPLMEN1
SCHEMBL4527756 0.79 THRB (0.53) HTR6QRFPRSLC22A12MEN1KMT2A
SCHEMBL4520131 0.79 HTR6 (0.69) TP53HTR6QRFPRMEN1KMT2A
SCHEMBL4508664 0.78 SLC22A12 (0.40) HTR6QRFPRALPLSLC22A12MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor ASTRAZENECA AB (SE) 2009-04-16 US claimed
EP-1888518-A1 NOVEL 8-SULFONYL-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR AstraZeneca AB (SE) 2008-02-20 EP claimed
WO-2006126938-A1 NOVEL 8-SULFONYL-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR ASTRAZENECA AB (SE) 2006-11-30 WO claimed
US-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor ASTRAZENECA AB (SE) 2009-04-16 US disclosed
EP-1888518-A1 NOVEL 8-SULFONYL-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR AstraZeneca AB (SE) 2008-02-20 EP disclosed
WO-2006126938-A1 NOVEL 8-SULFONYL-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-20090099187-A1 Novel 8-Sulfonyl-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5HT6 Receptor HTR6, HTR1D, HTR1A TP53 4228/4885HTR6 1/4885QRFPR 79/4885

“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.