SCHEMBL1136441

SCHEMBL1136441

CNC[C@H]1COc2ccc(S(=O)(=O)c3cccc(F)c3)cc2O1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.79
CA2 P00918 6/20 0.48
LMNA P02545 3/20 0.45
PKM P14618 2/20 0.44
PKLR P30613 1/20 0.44
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL1536557 1.00 HTR6 (0.79) HTR6CA2LMNAPKMPKLR
Hydrochloric Acid SCHEMBL3148539 0.99 HTR6 (0.78) HTR6CA2LMNAPKMPKLR
Hydrochloric Acid SCHEMBL3150087 0.99 HTR6 (0.78) HTR6CA2LMNAPKMPKLR
SCHEMBL14185674 0.89 HTR6 (0.63) HTR6CA2LMNAPKMPKLR
SCHEMBL3144794 0.89 HTR6 (0.63) HTR6CA2LMNAPKMPKLR
SCHEMBL3144218 0.89 HTR6 (1.00) HTR6CA2LMNAPKMALDH1A1
SCHEMBL3140329 0.89 HTR6 (1.00) HTR6CA2LMNAPKMALDH1A1
SCHEMBL1136455 0.89 HTR6 (1.00) HTR6CA2LMNAPKMALDH1A1
SCHEMBL3138990 0.88 HTR6 (0.62) HTR6CA2LMNAPKMPKLR
SCHEMBL14185678 0.88 HTR6 (0.62) HTR6CA2LMNAPKMPKLR

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799306-B1 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS HOFFMANN LA ROCHE (CH) 2011-02-23 EP 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 claimed
CN-100540546-C Be used to regulate 5-HT6 acceptor, 5-HT2A acceptor or both aryl sulfonyl benzos two alkane HOFFMANN LA ROCHE (CH) 2009-09-16 CN claimed
US-7368567-B2 Arylsulfonyl benzodioxanes, benzoxazines and benzothiazines as 5-HT6 antagonists ROCHE PALO ALTO LLC (US) 2008-05-06 US claimed
EP-1799306-A2 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS F. Hoffmann-Roche AG (CH) 2007-06-27 EP claimed
CN-1960983-A Arylsulfonyl benzodioxanes useful for modulation the 5-HT6 receptor, the 5-HT2areceptor or both HOFFMANN LA ROCHE (CH) 2007-05-09 CN claimed
WO-2006037482-A2 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-13 WO claimed
US-20060069094-A1 Compositions and methods for treating cognitive disorders ROCHE PALO ALTO LLC 2006-03-30 US claimed
US-20050250943-A1 Arylsulfonyl benzodioxanes, benzoxazines and benzothiazines as 5-HT6 antagonists ROCHE PALO ALTO LLC 2005-11-10 US claimed
EP-2301625-A2 Compositions and methods for treating cognitive disorders F. Hoffmann-La Roche AG (CH) 2011-03-30 EP disclosed
EP-1799306-B1 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS HOFFMANN LA ROCHE (CH) 2011-02-23 EP disclosed
US-7713954-B2 Compositions and methods for treating cognitive disorders ROCHE PALO ALTO LLC (US) 2010-05-11 US disclosed
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
CN-100540546-C Be used to regulate 5-HT6 acceptor, 5-HT2A acceptor or both aryl sulfonyl benzos two alkane HOFFMANN LA ROCHE (CH) 2009-09-16 CN disclosed
CN-1960983-A Arylsulfonyl benzodioxanes useful for modulation the 5-HT6 receptor, the 5-HT2areceptor or both HOFFMANN LA ROCHE (CH) 2007-05-09 CN disclosed
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 disclosed
WO-2006037482-A2 COMPOSITIONS AND METHODS FOR TREATING COGNITIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-13 WO disclosed
US-20060069094-A1 Compositions and methods for treating cognitive disorders ROCHE PALO ALTO LLC 2006-03-30 US disclosed
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 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 (2 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-20060069094-A1 Compositions and methods for treating cognitive disorders HTR6, HTR2A, HTR2C HTR6 1/4885CA2 1600/4885LMNA 3112/4885
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.