SCHEMBL3972992

SCHEMBL3972992

N#CC1=CCCc2cc(NS(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.50
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
IMPDH2 P12268 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
DRD3 P35462 1/20 0.42
BRD4 O60885 1/20 0.42
GAA P10253 2/20 0.42
GFER P55789 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
KEAP1 Q14145 2/20 0.42

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 0.87 HTR6 (0.40) HTR6LMNASMN1; SMN2IMPDH2MEN1
SCHEMBL314648 0.80 HTR2C (0.46) HTR6LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL3898623 0.73 HTR6 (0.56) HTR6LMNASMN1; SMN2MEN1ALDH1A1
SCHEMBL3902873 0.70 HTR6 (0.49) HTR6LMNASMN1; SMN2IMPDH2MEN1
SCHEMBL9324361 0.70 HTR6 (0.58) HTR6LMNASMN1; SMN2MEN1ALDH1A1
SCHEMBL2775537 0.69 CES1 (0.39) LMNAALDH1A1KMT2AHPGDMAPT
SCHEMBL7572258 0.68 CYP19A1 (0.75) MEN1ALDH1A1PKMKMT2AHPGD
SCHEMBL11028156 0.67 PGR (0.64) HTR6LMNASMN1; SMN2MEN1ALDH1A1
SCHEMBL5781306 0.67 HTR6 (1.00) HTR6LMNASMN1; SMN2MEN1ALDH1A1
SCHEMBL11485190 0.67 MAPT (0.71) HTR6LMNASMN1; SMN2MEN1ALDH1A1

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 2866/4885SMN1; SMN2 825/4885

“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.