SCHEMBL3140449

SCHEMBL3140449

O=S(=O)(c1cccc(F)c1)c1ccc2c(c1)OC(CN1CC1)CO2

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.54
DRD2 P14416 2/20 0.49
PKM P14618 1/20 0.49
PKLR P30613 1/20 0.49
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
HTR1A P08908 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
MAPK1 P28482 1/20 0.45

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
SCHEMBL14185682 1.00 HTR6 (0.54) HTR6DRD2PKMPKLRADRA2A
SCHEMBL14185679 0.96 HTR6 (0.52) HTR6DRD2PKMPKLRADRA2A
SCHEMBL3144111 0.96 HTR6 (0.52) HTR6DRD2PKMPKLRADRA2A
SCHEMBL14185683 0.94 HTR6 (0.50) HTR6DRD2PKMPKLRADRA2A
SCHEMBL3154311 0.94 HTR6 (0.50) HTR6DRD2PKMPKLRADRA2A
SCHEMBL14185693 0.89 HTR6 (0.67) HTR6DRD2ADRA2AADRA2BADRA2C
SCHEMBL3144243 0.89 HTR6 (0.67) HTR6DRD2ADRA2AADRA2BADRA2C
SCHEMBL1136529 0.85 HTR6 (0.57) HTR6PKMPKLRMAPK1
SCHEMBL3148891 0.85 HTR6 (0.66) HTR6DRD2ADRA2AADRA2BADRA2C
SCHEMBL3150125 0.84 HTR6 (0.65) HTR6DRD2ADRA2AADRA2BADRA2C

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 12 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
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
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 1/4885DRD2 152/4885PKM 1448/4885

“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.