SCHEMBL3149144

SCHEMBL3149144

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.61
LMNA P02545 5/20 0.41
FFAR1 O14842 1/20 0.40
ALDH1A1 P00352 3/20 0.40
RECQL P46063 1/20 0.40
CA2 P00918 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CHRM2 P08172 3/20 0.39
CHRM5 P08912 3/20 0.39
CHRM3 P20309 2/20 0.39
MAPT P10636 3/20 0.39
PKM P14618 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALOX5 P09917 1/20 0.39
CHRM1 P11229 2/20 0.38
CHRM4 P08173 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL3149024 1.00 HTR6 (0.61) HTR6LMNAFFAR1ALDH1A1RECQL
SCHEMBL14185726 0.95 HTR6 (0.68) HTR6LMNAFFAR1ALDH1A1RECQL
SCHEMBL3153504 0.95 HTR6 (0.68) HTR6LMNAFFAR1ALDH1A1RECQL
SCHEMBL2544576 0.82 CA2 (0.55) LMNARECQLCA2SMN1; SMN2L3MBTL1
SCHEMBL7982000 0.82 CA2 (0.55) LMNARECQLCA2SMN1; SMN2L3MBTL1
SCHEMBL1545420 0.82 CA2 (0.55) LMNARECQLCA2SMN1; SMN2L3MBTL1
SCHEMBL3149197 0.82 HTR6 (0.65) HTR6LMNAALDH1A1CA2SMN1; SMN2
SCHEMBL3154906 0.82 HTR6 (0.65) HTR6LMNAALDH1A1CA2SMN1; SMN2
SCHEMBL3145721 0.81 HTR6 (0.91) HTR6LMNAALDH1A1CA2SMN1; SMN2
SCHEMBL3141867 0.81 HTR6 (0.91) HTR6LMNAALDH1A1CA2SMN1; SMN2

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 5 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 disclosed
US-7368567-B2 Arylsulfonyl benzodioxanes, benzoxazines and benzothiazines as 5-HT6 antagonists ROCHE PALO ALTO LLC (US) 2008-05-06 US 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 1731/4885FFAR1 396/4885

“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.