SCHEMBL3140329

SCHEMBL3140329

CNCC1COc2ccc(S(=O)(=O)c3ccccc3)cc2O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 1.00
LMNA P02545 4/20 0.51
CA2 P00918 4/20 0.49
ALDH1A1 P00352 2/20 0.49
DRD2 P14416 2/20 0.48
DRD4 P21917 2/20 0.48
DRD3 P35462 2/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.47
PKM P14618 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 2/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
ALOX12 P18054 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
MTNR1A P48039 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL3144218 1.00 HTR6 (1.00) HTR6LMNACA2ALDH1A1DRD2
SCHEMBL1136455 1.00 HTR6 (1.00) HTR6LMNACA2ALDH1A1DRD2
Hydrochloric Acid SCHEMBL3145496 0.99 HTR6 (0.98) HTR6LMNACA2ALDH1A1DRD2
SCHEMBL3145721 0.95 HTR6 (0.91) HTR6LMNACA2ALDH1A1MEN1
SCHEMBL3141867 0.95 HTR6 (0.91) HTR6LMNACA2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL3155381 0.94 HTR6 (0.89) HTR6LMNACA2ALDH1A1MEN1
SCHEMBL14185673 0.90 HTR6 (0.82) HTR6LMNACA2ALDH1A1DRD2
SCHEMBL3148872 0.90 HTR6 (0.82) HTR6LMNACA2ALDH1A1DRD2
SCHEMBL14185702 0.90 HTR6 (0.81) HTR6LMNACA2ALDH1A1DRD2
SCHEMBL3148797 0.90 HTR6 (0.81) HTR6LMNACA2ALDH1A1DRD2

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 15 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
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 1731/4885CA2 4115/4885

“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.