SCHEMBL3146330

SCHEMBL3146330

O=S(=O)(c1ccccc1)c1ccc(OCc2ccccc2)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
EGFR P00533 2/20 0.47
POLB P06746 2/20 0.45
SRC P12931 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SERPINE1 P05121 1/20 0.44
HTR6 P50406 1/20 0.44
STAT3 P40763 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
SCHEMBL9659630 0.82 FFAR4 (0.53) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL9647739 0.81 CA12 (0.61) CA12CA1CA2CA4CA5A
SCHEMBL9661501 0.81 FFAR4 (0.52) CA12CA1CA2CA4CA5A
SCHEMBL3148800 0.81 L3MBTL1 (0.56) CA9POLBMAPTCYP2C9CYP2C19
SCHEMBL10823263 0.81 ACP1 (0.49) CA12CA1CA2CA4CA5A
SCHEMBL6541781 0.80 POLB (0.48) CA12CA1CA2CA5ACA7
SCHEMBL3145744 0.80 PTPN1 (0.51) POLBMAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL6677428 0.79 MTNR1A (0.47) EGFRPOLBMAPTSMN1; SMN2GAA
SCHEMBL5500930 0.78 PTGER1 (0.43) CA12CA1CA2CA4CA5A
SCHEMBL27679941 0.78 KDM4E (0.43) POLBMAPTCYP2C9CYP2C19SMN1; 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 10 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
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 CA12 4705/4885CA1 3610/4885CA2 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.