SCHEMBL3898623

SCHEMBL3898623

O=C1CCCc2cc(NS(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.56
LMNA P02545 4/20 0.53
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
THRB P10828 1/20 0.53
BAZ2B Q9UIF8 1/20 0.51
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
BRD4 O60885 1/20 0.49
GRM5 P41594 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PKM P14618 1/20 0.49
NR3C1 P04150 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA9 Q16790 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL4048974 0.86 HTR6 (0.43) HTR6LMNAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL9324361 0.80 HTR6 (0.58) HTR6LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL9715425 0.80 BAZ2B (0.60) LMNAALDH1A1SMN1; SMN2L3MBTL1THRB
SCHEMBL316166 0.77 GRM5 (0.54) HTR6LMNAALDH1A1THRBBAZ2B
SCHEMBL11485190 0.74 MAPT (0.71) HTR6LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL6984820 0.74 HTR6 (0.61) HTR6LMNAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4474002 0.73 HPGD (0.59) HTR6LMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL3972992 0.73 HTR6 (0.50) HTR6LMNAALDH1A1SMN1; SMN2TP53
SCHEMBL8310779 0.72 BAZ2B (0.67) BAZ2BGRM5MEN1KMT2AMAOA
SCHEMBL6378177 0.72 MAPK14 (0.81) SMN1; SMN2BAZ2BTP53

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076489-A1 ARYLSULFONAMIDYL TETRALIN DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
US-7531577-B2 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-05-12 US disclosed
US-7531577-B2 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-05-12 US disclosed
US-7531577-B2 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2009-05-12 US disclosed
US-20080015208-A1 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC 2008-01-17 US disclosed
US-20080015208-A1 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC 2008-01-17 US disclosed
US-20080015208-A1 Arylsulfonamidyl tetralin derivatives and uses thereof ROCHE PALO ALTO LLC 2008-01-17 US disclosed
WO-2007147762-A1 ARYLSULFONAMIDYL TETRALIN 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

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-20080015208-A1 Arylsulfonamidyl tetralin derivatives and uses thereof HTR6, TPH1, HTR1B HTR6 1/4885LMNA 2866/4885ALDH1A1 737/4885

“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.