SCHEMBL3080680

SCHEMBL3080680

NCc1cccc2cc(S(=O)(=O)c3ccccc3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.49
LOXL2 Q9Y4K0 7/20 0.46
LOX P28300 6/20 0.46
MAOA P21397 2/20 0.46
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE4B Q07343 1/20 0.41
KCNH2 Q12809 1/20 0.40
AOC3 Q16853 1/20 0.40

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
SCHEMBL13147946 0.89 HTR6 (0.50) HTR6LOXL2LOXMAOAALDH1A1
SCHEMBL3086452 0.87 HTR6 (0.45) HTR6LOXL2LOXMAOAKCNH2
SCHEMBL4210036 0.81 CASP6 (0.51) ALDH1A1POLBMAPT
SCHEMBL3097281 0.81 HTR6 (0.43) HTR6ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL13147952 0.81 CYP1A2 (0.44) HTR6ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL14344711 0.81 CA2 (0.48) HTR6MAPTAOC3
SCHEMBL3092580 0.80 CA2 (0.50) HTR6MAPT
SCHEMBL3092172 0.79 NQO2 (0.48) HTR6ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL3086379 0.79 CA2 (0.49) HTR6MAPT
SCHEMBL13147939 0.79 HTR6 (0.47) HTR6ALDH1A1POLBMAPTSMN1; 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799797-B2 Arylsulfonyl naphthalene derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-09-21 US disclosed
US-7799797-B2 Arylsulfonyl naphthalene derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-09-21 US disclosed
US-7799797-B2 Arylsulfonyl naphthalene derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-09-21 US disclosed
EP-2076489-A1 ARYLSULFONAMIDYL TETRALIN DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
CN-101472885-A Arylsulfonyl naphthalene derivatives and uses thereof HOFFMANN LA ROCHE (CH) 2009-07-01 CN disclosed
CN-101472883-A Arylsulfonylamino tetralin derivatives and use thereof HOFFMANN LA ROCHE (CH) 2009-07-01 CN disclosed
US-7531577-B2 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-05-12 US disclosed
EP-2041079-A1 ARYLSULFONYL NAPHTHALENE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2009-04-01 EP disclosed
US-20080015208-A1 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC 2008-01-17 US disclosed
WO-2007147763-A1 ARYLSULFONYL NAPHTHALENE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 WO disclosed
WO-2007147763-A1 ARYLSULFONYL NAPHTHALENE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 WO disclosed
WO-2007147762-A1 ARYLSULFONAMIDYL TETRALIN DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-12-27 WO disclosed
US-20070293526-A1 Arylsulfonyl naphthalene derivatives and uses thereof ROCHE PALO ALTO LLC 2007-12-20 US disclosed
US-20070293526-A1 Arylsulfonyl naphthalene derivatives and uses thereof ROCHE PALO ALTO LLC 2007-12-20 US disclosed
US-20070293526-A1 Arylsulfonyl naphthalene derivatives and uses thereof ROCHE PALO ALTO LLC 2007-12-20 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 (2 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-20080015208-A1 Arylsulfonamidyl tetralin derivatives and uses thereof HTR6, TPH1, HTR1B HTR6 1/4885LOXL2 2354/4885LOX 1368/4885
US-20070293526-A1 Arylsulfonyl naphthalene derivatives and uses thereof ARSA, AR, SULT2A1 HTR6 427/4885LOXL2 4574/4885LOX 4365/4885

“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.