SCHEMBL4467464

SCHEMBL4467464

O=S(=O)(c1ccc2c(c1)OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)O2)N1CCCCC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.77
PKM P14618 1/20 0.54
PKLR P30613 1/20 0.54
ALDH1A1 P00352 5/20 0.54
HTT P42858 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
CREBBP Q92793 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
KMT2A Q03164 2/20 0.49
NPBWR1 P48145 1/20 0.49
MCHR1 Q99705 1/20 0.49
POLB P06746 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
VCAM1 P19320 1/20 0.47
USP2 O75604 1/20 0.46
ABCC9 O60706 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
SCHEMBL4464890 0.94 CNR1 (0.69) CNR1PKMPKLRALDH1A1HTT
SCHEMBL4460090 0.94 CNR1 (0.69) CNR1PKMPKLRALDH1A1HTT
SCHEMBL4459683 0.91 CNR1 (0.65) CNR1PKMPKLRALDH1A1HTT
SCHEMBL4468782 0.90 CNR1 (0.70) CNR1PKMPKLRALDH1A1HTT
SCHEMBL4460616 0.88 CNR1 (0.77) CNR1PKMPKLRALDH1A1HTT
SCHEMBL4459981 0.87 CNR1 (1.00) CNR1PKMPKLRALDH1A1SMN1; SMN2
SCHEMBL4460822 0.86 CNR1 (0.97) CNR1PKMPKLRALDH1A1SMN1; SMN2
SCHEMBL1317004 0.85 CNR1 (0.64) CNR1PKMPKLRALDH1A1HTT
SCHEMBL4476817 0.85 CNR1 (0.69) CNR1PKMPKLRALDH1A1HTT
SCHEMBL4466755 0.83 CNR1 (0.86) CNR1PKMPKLRALDH1A1LMNA

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-20050143373-A1 Benzodioxole derivatives ALANINE ALEXANDER (FR) 2005-06-30 US 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
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.