SCHEMBL3901359

SCHEMBL3901359

CCOC(=O)CNCc1cccc2cc(NS(=O)(=O)c3ccccc3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
TP53 P04637 2/20 0.46
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
HIF1A Q16665 2/20 0.44
ALOX12 P18054 2/20 0.44
AKR1C3 P42330 1/20 0.43
AR P10275 1/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 2/20 0.42
THRB P10828 1/20 0.42
MEN1 O00255 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
SCHEMBL3097866 0.87 GAA (0.45) ALDH1A1CYP2C9PTGDR2KDM4EHSD17B10
SCHEMBL3958368 0.85 HTR6 (0.43) MAPTTP53AURKAAURKBHIF1A
SCHEMBL3958854 0.85 LMNA (0.48) MAPTLMNASMN1; SMN2ALOX12AKR1C3
SCHEMBL27756096 0.82 LMNA (0.45) MAPTTP53LMNASMN1; SMN2ALOX12
SCHEMBL3903517 0.80 MAPT (0.42) MAPTTP53LMNASMN1; SMN2AURKA
SCHEMBL1731885 0.79 ALDH1A1 (0.50) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL3971790 0.79 HTR6 (0.37) MAPTTP53AURKAAURKBPTGDR2
SCHEMBL3906058 0.78 CA1 (0.51) MAPTLMNASMN1; SMN2ALOX12AKR1C3
SCHEMBL3904385 0.77 LMNA (0.55) MAPTLMNASMN1; SMN2ALOX12AKR1C3
SCHEMBL27776906 0.76 LMNA (0.45) LMNASMN1; SMN2ALOX12AKR1C3ALDH1A1

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 MAPT 2430/4885TP53 4250/4885LMNA 2866/4885

“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.