SCHEMBL3902873

SCHEMBL3902873

N#CC1CCCc2cc(NS(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.49
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
THRB P10828 1/20 0.44
NR3C1 P04150 1/20 0.44
HPGD P15428 2/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.42
RORC P51449 1/20 0.42
BRD4 O60885 1/20 0.41
GFER P55789 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
IL1RN P18510 1/20 0.41
KEAP1 Q14145 1/20 0.41

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
SCHEMBL4050508 0.88 HTR6 (0.40) HTR6TP53MAPTALDH1A1LMNA
SCHEMBL316237 0.80 HTR6 (0.62) HTR6
SCHEMBL3904392 0.79 HTR6 (0.67) HTR6
SCHEMBL3901342 0.77 HTR6 (0.70) HTR6ALDH1A1LMNASMN1; SMN2L3MBTL1
Oxalic Acid SCHEMBL3904058 0.75 HTR6 (0.61) HTR6
SCHEMBL3902319 0.73 HTR6 (0.59) HTR6
SCHEMBL3902214 0.73 HTR6 (0.54) HTR6
SCHEMBL10749940 0.73 BAZ2B (0.52) ALDH1A1LMNAKMT2A
SCHEMBL3986230 0.72 HTR6 (0.81) HTR6
SCHEMBL3910060 0.72 TP53 (0.43) HTR6TP53MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1/4885TP53 4250/4885MAPT 2430/4885

“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.