SCHEMBL4471278

SCHEMBL4471278

COc1ccc(C2(c3ccc(Cl)cc3)Oc3ccc(S(=O)(=O)N4CCOCC4)cc3O2)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.55
TSHR P16473 3/20 0.51
HSD17B10 Q99714 3/20 0.51
KDM4E B2RXH2 3/20 0.51
CASP1 P29466 1/20 0.51
ALDH1A1 P00352 4/20 0.50
PKM P14618 3/20 0.47
PKLR P30613 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
USP2 O75604 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
POLB P06746 1/20 0.45
GPR35 Q9HC97 2/20 0.44
DRD5 P21918 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44

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
SCHEMBL4465288 0.93 CNR1 (0.54) CNR1TSHRHSD17B10KDM4ECASP1
SCHEMBL4461883 0.81 CNR1 (0.68) CNR1TSHRPKMSMN1; SMN2MEN1
SCHEMBL4459683 0.80 CNR1 (0.65) CNR1TSHRHSD17B10KDM4EALDH1A1
SCHEMBL14256895 0.79 KDM4E (0.49) CNR1TSHRHSD17B10KDM4ECASP1
SCHEMBL4480074 0.77 KDM4E (0.53) CNR1TSHRHSD17B10KDM4ECASP1
SCHEMBL4457128 0.75 CNR1 (0.64) CNR1TSHRHSD17B10KDM4EALDH1A1
SCHEMBL4462750 0.74 MEN1 (0.52) CNR1TSHRHSD17B10KDM4ECASP1
SCHEMBL4467464 0.73 CNR1 (0.77) CNR1TSHRKDM4EALDH1A1PKM
SCHEMBL4466568 0.73 CNR1 (0.67) CNR1SMN1; SMN2MEN1KMT2AGPR35
SCHEMBL4464890 0.73 CNR1 (0.69) CNR1KDM4EALDH1A1PKMPKLR

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 2/4885TSHR 1029/4885HSD17B10 348/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 CNR1 1/4885TSHR 1171/4885HSD17B10 307/4885

“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.