SCHEMBL4522178

SCHEMBL4522178

COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c2c1CC[C@H](NC(=O)CF)C2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.64
QRFPR Q96P65 1/20 0.64
PTGDR Q13258 4/20 0.45
PTGDR2 Q9Y5Y4 4/20 0.45
WDR5 P61964 1/20 0.44
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL4509755 0.89 HTR6 (0.71) HTR6QRFPRPTGDRPTGDR2WDR5
SCHEMBL4505107 0.88 HTR6 (0.64) HTR6QRFPRPTGDRPTGDR2WDR5
SCHEMBL13889123 0.87 HTR6 (0.63) HTR6QRFPRPTGDRPTGDR2WDR5
SCHEMBL4513947 0.86 HTR6 (0.67) HTR6QRFPRPTGDRPTGDR2WDR5
SCHEMBL4515515 0.85 HTR6 (0.73) HTR6QRFPRWDR5ALDH1A1TP53
SCHEMBL4518346 0.83 HSD11B1 (0.48) HTR6QRFPRMTNR1AMTNR1BALDH1A1
SCHEMBL4963682 0.83 HSD11B1 (0.48) HTR6QRFPRMTNR1AMTNR1BALDH1A1
SCHEMBL4966544 0.80 HTR6 (0.74) HTR6QRFPRWDR5ALDH1A1TP53
SCHEMBL4505443 0.80 HTR6 (0.74) HTR6QRFPRWDR5ALDH1A1TP53
SCHEMBL4965455 0.79 HTR6 (0.64) HTR6QRFPRWDR5ALDH1A1TP53

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 5 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 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 HTR6 1/4885QRFPR 79/4885PTGDR 147/4885

“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.