SCHEMBL3141867

SCHEMBL3141867

CNC[C@@H]1COc2cc(S(=O)(=O)c3ccccc3)ccc2O1

nearest known ligand 0.91

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.91
LMNA P02545 4/20 0.51
ALDH1A1 P00352 3/20 0.49
CA2 P00918 6/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 3/20 0.47
PKM P14618 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA1 P00915 1/20 0.46
MTNR1A P48039 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3145721 1.00 HTR6 (0.91) HTR6LMNAALDH1A1CA2MEN1
Hydrochloric Acid SCHEMBL3155381 0.99 HTR6 (0.89) HTR6LMNAALDH1A1CA2MEN1
SCHEMBL3140329 0.95 HTR6 (1.00) HTR6LMNAALDH1A1CA2MEN1
SCHEMBL3144218 0.95 HTR6 (1.00) HTR6LMNAALDH1A1CA2MEN1
SCHEMBL1136455 0.95 HTR6 (1.00) HTR6LMNAALDH1A1CA2MEN1
Hydrochloric Acid SCHEMBL3145496 0.94 HTR6 (0.98) HTR6LMNAALDH1A1CA2MEN1
SCHEMBL14185717 0.88 HTR6 (0.71) HTR6LMNAALDH1A1CA2MEN1
SCHEMBL3142061 0.88 HTR6 (0.71) HTR6LMNAALDH1A1CA2MEN1
SCHEMBL14185673 0.85 HTR6 (0.82) HTR6LMNAALDH1A1CA2MEN1
SCHEMBL3148872 0.85 HTR6 (0.82) HTR6LMNAALDH1A1CA2MEN1

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 17 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
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
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
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
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
US-7368567-B2 Arylsulfonyl benzodioxanes, benzoxazines and benzothiazines as 5-HT6 antagonists ROCHE PALO ALTO LLC (US) 2008-05-06 US disclosed
US-7368567-B2 Arylsulfonyl benzodioxanes, benzoxazines and benzothiazines as 5-HT6 antagonists ROCHE PALO ALTO LLC (US) 2008-05-06 US disclosed
US-7368567-B2 Arylsulfonyl benzodioxanes, benzoxazines and benzothiazines as 5-HT6 antagonists ROCHE PALO ALTO LLC (US) 2008-05-06 US 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-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 (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 1/4885LMNA 1731/4885ALDH1A1 1319/4885

“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.