SCHEMBL3148797

SCHEMBL3148797

CNCC1COc2ccc(S(=O)(=O)c3cccc(C)c3)cc2O1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.81
CA2 P00918 4/20 0.55
LMNA P02545 6/20 0.51
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
MTNR1A P48039 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL14185702 1.00 HTR6 (0.81) HTR6CA2LMNAALDH1A1MEN1
SCHEMBL1136455 0.90 HTR6 (1.00) HTR6CA2LMNAALDH1A1MEN1
SCHEMBL3148872 0.90 HTR6 (0.82) HTR6CA2LMNAALDH1A1MEN1
SCHEMBL3144218 0.90 HTR6 (1.00) HTR6CA2LMNAALDH1A1MEN1
SCHEMBL14185673 0.90 HTR6 (0.82) HTR6CA2LMNAALDH1A1MEN1
SCHEMBL3140329 0.90 HTR6 (1.00) HTR6CA2LMNAALDH1A1MEN1
Hydrochloric Acid SCHEMBL3145496 0.88 HTR6 (0.98) HTR6CA2LMNAALDH1A1MEN1
SCHEMBL1536557 0.88 HTR6 (0.79) HTR6CA2LMNAALDH1A1MEN1
SCHEMBL1136441 0.88 HTR6 (0.79) HTR6CA2LMNAALDH1A1MEN1
Hydrochloric Acid SCHEMBL3148539 0.87 HTR6 (0.78) HTR6CA2LMNAALDH1A1MEN1

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
EP-1748995-B1 ARYLSULFONYL BENZODIOXANES USEFUL FOR MODULATION THE 5-HT6 RECEPTOR, THE 5-HT2ARECEPTOR OR BOTH HOFFMANN LA ROCHE (CH) 2010-02-24 EP claimed
US-7368567-B2 Arylsulfonyl benzodioxanes, benzoxazines and benzothiazines as 5-HT6 antagonists ROCHE PALO ALTO LLC (US) 2008-05-06 US claimed
EP-1748995-A1 ARYLSULFONYL BENZODIOXANES USEFUL FOR MODULATION THE 5-HT6 RECEPTOR, THE 5-HT2ARECEPTOR OR BOTH F. Hoffmann-La Roche AG (CH) 2007-02-07 EP claimed
WO-2005105776-A1 ARYLSULFONYL BENZODIOXANES USEFUL FOR MODULATION THE 5-HT6 RECEPTOR, THE 5-HT2ARECEPTOR OR BOTH F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 WO claimed
US-20050250943-A1 Arylsulfonyl benzodioxanes, benzoxazines and benzothiazines as 5-HT6 antagonists ROCHE PALO ALTO LLC 2005-11-10 US claimed
EP-1748995-B1 ARYLSULFONYL BENZODIOXANES USEFUL FOR MODULATION THE 5-HT6 RECEPTOR, THE 5-HT2ARECEPTOR OR BOTH HOFFMANN LA ROCHE (CH) 2010-02-24 EP disclosed
US-7368567-B2 Arylsulfonyl benzodioxanes, benzoxazines and benzothiazines as 5-HT6 antagonists ROCHE PALO ALTO LLC (US) 2008-05-06 US disclosed
US-20050250943-A1 Arylsulfonyl benzodioxanes, benzoxazines and benzothiazines as 5-HT6 antagonists ROCHE PALO ALTO LLC 2005-11-10 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-20050250943-A1 Arylsulfonyl benzodioxanes, benzoxazines and benzothiazines as 5-HT6 antagonists HTR6, HTR7, HTR1F HTR6 1/4885CA2 4115/4885LMNA 1731/4885

“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.