SCHEMBL3958368

SCHEMBL3958368

CCOC(=O)CNCc1cccc2cc(NS(=O)(=O)c3ccccc3)ccc12.NCC1CCCc2cc(NS(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.43
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HIF1A Q16665 1/20 0.35
ALOX12 P18054 1/20 0.34

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
SCHEMBL3971790 0.91 HTR6 (0.37) HTR6AURKAAURKBTP53MAPT
SCHEMBL3901359 0.85 MAPT (0.46) AURKAAURKBTP53MAPTHIF1A
SCHEMBL3958371 0.81 HTR6 (0.41) HTR6AURKAAURKBTP53MAPT
SCHEMBL3958361 0.80 HTR6 (0.41) HTR6AURKAAURKBTP53MAPT
Oxalic Acid SCHEMBL3904058 0.78 HTR6 (0.61) HTR6
SCHEMBL3904392 0.78 HTR6 (0.67) HTR6
SCHEMBL3097866 0.74 GAA (0.45)
SCHEMBL3958854 0.72 LMNA (0.48) HTR6MAPTALOX12
SCHEMBL27756096 0.70 LMNA (0.45) HTR6TP53MAPTALOX12
SCHEMBL3903517 0.70 MAPT (0.42) AURKAAURKBTP53MAPTHIF1A

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 4 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-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

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 1/4885AURKA 3780/4885AURKB 2998/4885

“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.