SCHEMBL4514993

SCHEMBL4514993

COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c2c1C[C@@H](N(C)C(C)C)CO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 5/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
PKM P14618 2/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTR6 P50406 1/20 0.43
QRFPR Q96P65 1/20 0.43
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
PI4KB Q9UBF8 2/20 0.41
GAA P10253 2/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
FABP4 P15090 1/20 0.37
ALPL P05186 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
SCHEMBL4527756 0.92 THRB (0.53) THRBHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL4529499 0.85 THRB (0.52) THRBHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL4522821 0.85 THRB (0.55) THRBHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL4524167 0.81 THRB (0.53) THRBHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL4504853 0.81 HTR6 (0.53) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL4516094 0.80 HTR6 (0.52) SMN1; SMN2NPSR1HTR6QRFPRFABP4
SCHEMBL4961539 0.79 THRB (0.48) THRBHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL13895395 0.79 THRB (0.48) THRBHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL4519924 0.79 THRB (0.40) THRBHPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL4519217 0.78 HTR6 (0.70) THRBHPGDSMN1; SMN2LMNAALDH1A1

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 THRB 485/4885HPGD 2286/4885SMN1; SMN2 2149/4885

“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.