SCHEMBL4460822

SCHEMBL4460822

O=S(=O)(c1ccc2c(c1)OC(c1ccccc1)(c1ccccc1)O2)N1CCCC1

nearest known ligand 0.97

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.97
PKM P14618 4/20 0.52
PKLR P30613 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
MCOLN3 Q8TDD5 2/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50
THRB P10828 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
USP2 O75604 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4459981 0.99 CNR1 (1.00) CNR1PKMPKLRSMN1; SMN2ALDH1A1
SCHEMBL4466755 0.92 CNR1 (0.86) CNR1PKMPKLRALDH1A1TSHR
SCHEMBL4460146 0.90 CNR1 (0.79) CNR1PKMPKLRSMN1; SMN2ALDH1A1
SCHEMBL4462997 0.89 CNR1 (0.78) CNR1PKMPKLRSMN1; SMN2ALDH1A1
SCHEMBL4468447 0.89 CNR1 (0.81) CNR1PKMPKLRSMN1; SMN2ALDH1A1
SCHEMBL4468884 0.88 CNR1 (0.77) CNR1PKMPKLRSMN1; SMN2TSHR
SCHEMBL4461762 0.87 CNR1 (0.76) CNR1PKMPKLRALDH1A1LMNA
SCHEMBL4467464 0.86 CNR1 (0.77) CNR1PKMPKLRSMN1; SMN2ALDH1A1
SCHEMBL4460616 0.86 CNR1 (0.77) CNR1PKMPKLRALDH1A1LMNA
SCHEMBL4460888 0.84 CNR1 (0.71) CNR1PKMPKLRSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP claimed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 US 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
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 CNR1 2/4885PKM 2705/4885PKLR 2459/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 CNR1 1/4885PKM 2924/4885PKLR 2543/4885

“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.