SCHEMBL4468271

SCHEMBL4468271

COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c(c2)OC(c2ccccc2)(c2ccccc2)O3)CC1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
CNR1 P21554 2/20 0.64
USP2 O75604 1/20 0.64
GLA P06280 1/20 0.64
TSHR P16473 1/20 0.64
MAPK1 P28482 1/20 0.64
HSD17B10 Q99714 1/20 0.64
GAA P10253 4/20 0.63
GFER P55789 2/20 0.63
POLB P06746 3/20 0.59
ALDH1A1 P00352 2/20 0.59
TP53 P04637 1/20 0.59
KMT2A Q03164 3/20 0.58
MEN1 O00255 1/20 0.58
MAPT P10636 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 2/20 0.53

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
SCHEMBL4460888 0.86 CNR1 (0.71) LMNACNR1USP2GLATSHR
SCHEMBL4465327 0.84 CNR1 (0.68) LMNACNR1TSHRMAPK1ALDH1A1
SCHEMBL4467841 0.84 MAPT (0.66) LMNACNR1TSHRHSD17B10GAA
SCHEMBL4459614 0.84 CNR1 (0.64) LMNACNR1USP2TSHRMAPK1
SCHEMBL4468841 0.83 CNR1 (0.63) LMNACNR1USP2TSHRMAPK1
SCHEMBL4461762 0.82 CNR1 (0.76) LMNACNR1GAAPOLBALDH1A1
SCHEMBL4468884 0.81 CNR1 (0.77) LMNACNR1TSHRMAPK1POLB
SCHEMBL4463119 0.81 CNR1 (0.67) LMNACNR1USP2TSHRMAPK1
SCHEMBL4463323 0.80 CNR1 (0.68) LMNACNR1USP2HSD17B10GAA
SCHEMBL4460822 0.80 CNR1 (0.97) LMNACNR1USP2TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US claimed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP claimed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP claimed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US claimed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 WO claimed
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-20050143373-A1 Benzodioxole derivatives ALANINE ALEXANDER (FR) 2005-06-30 US disclosed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP disclosed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US disclosed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 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 (2 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-20050143373-A1 Benzodioxole derivatives CNR2, CNR1, GPR119 LMNA 3995/4885CNR1 2/4885USP2 2511/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 LMNA 4186/4885CNR1 1/4885USP2 2997/4885

“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.