SCHEMBL4477188

SCHEMBL4477188

Cc1ccc(C2(c3ccccc3Cl)Oc3ccc(S(=O)(=O)N4CCCCC4)cc3O2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.67
PKM P14618 6/20 0.48
LMNA P02545 3/20 0.48
TSHR P16473 3/20 0.48
ALDH1A1 P00352 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 2/20 0.45
POLB P06746 1/20 0.42
MCOLN3 Q8TDD5 4/20 0.42
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
CYP2C19 P33261 1/20 0.41
ABCC9 O60706 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 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
SCHEMBL4468782 0.92 CNR1 (0.70) CNR1PKMLMNATSHRALDH1A1
SCHEMBL4461879 0.90 CNR1 (0.67) CNR1PKMLMNATSHRALDH1A1
SCHEMBL4457128 0.89 CNR1 (0.64) CNR1PKMLMNATSHRALDH1A1
SCHEMBL4460090 0.87 CNR1 (0.69) CNR1PKMLMNATSHRALDH1A1
SCHEMBL4467464 0.81 CNR1 (0.77) CNR1PKMLMNATSHRALDH1A1
SCHEMBL4459981 0.81 CNR1 (1.00) CNR1PKMLMNATSHRALDH1A1
SCHEMBL4460822 0.80 CNR1 (0.97) CNR1PKMLMNATSHRALDH1A1
SCHEMBL1317004 0.79 CNR1 (0.64) CNR1PKMLMNAALDH1A1NPSR1
SCHEMBL4466755 0.78 CNR1 (0.86) CNR1PKMLMNATSHRALDH1A1
SCHEMBL4468447 0.77 CNR1 (0.81) CNR1PKMLMNATSHRALDH1A1

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 16 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
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 2705/4885LMNA 3995/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 CNR1 1/4885PKM 2924/4885LMNA 4186/4885

“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.