SCHEMBL3144429

SCHEMBL3144429

O=S(=O)(c1ccccc1)c1ccc(OC[C@H](O)CO)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.43
KDM4E B2RXH2 2/20 0.43
AGTR1 P30556 1/20 0.43
LMNA P02545 1/20 0.43
CYP2C19 P33261 2/20 0.42
GAA P10253 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
PKM P14618 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
VDR P11473 3/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALK Q9UM73 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL14185724 1.00 CYP1A2 (0.43) CYP1A2KDM4EAGTR1LMNACYP2C19
SCHEMBL13479192 0.85 CYP1A2 (0.43) CYP1A2KDM4EAGTR1LMNACYP2C19
SCHEMBL1136671 0.75 HTR2C (0.39) CA1CA2CA4CA7CA9
SCHEMBL1136582 0.75 HTR2C (0.39) CA1CA2CA4CA7CA9
SCHEMBL1496619 0.74 CYP1A2 (0.64) CYP1A2KDM4EAGTR1LMNACYP2C19
SCHEMBL28670310 0.74 CYP1A2 (0.64) CYP1A2KDM4EAGTR1LMNACYP2C19
SCHEMBL15067160 0.74 BRD4 (0.50) PKMHTR6POLB
SCHEMBL19459819 0.73 ALDH1A1 (0.47) CYP1A2KDM4EAGTR1LMNACYP2C19
SCHEMBL19459678 0.73 ALDH1A1 (0.47) CYP1A2KDM4EAGTR1LMNACYP2C19
SCHEMBL19459952 0.73 ALDH1A1 (0.47) CYP1A2KDM4EAGTR1LMNACYP2C19

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 CYP1A2 184/4885KDM4E 1495/4885AGTR1 296/4885

“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.