SCHEMBL4480074

SCHEMBL4480074

COc1ccc(C2(c3ccc(C#N)cc3)Oc3ccc(S(=O)(=O)N4CCOCC4)cc3O2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
HSD17B10 Q99714 2/20 0.53
TSHR P16473 2/20 0.53
CASP1 P29466 2/20 0.53
ALDH1A1 P00352 8/20 0.52
USP2 O75604 2/20 0.52
PKM P14618 3/20 0.51
PKLR P30613 2/20 0.51
CNR1 P21554 1/20 0.50
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CCR6 P51684 2/20 0.48
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
CASP3 P42574 1/20 0.45
CASP7 P55210 1/20 0.45
CASP6 P55212 1/20 0.45
POLB P06746 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
SCHEMBL14256895 0.81 KDM4E (0.49) KDM4EHSD17B10TSHRCASP1ALDH1A1
SCHEMBL4462750 0.81 MEN1 (0.52) KDM4EHSD17B10TSHRCASP1ALDH1A1
SCHEMBL4480078 0.80 ALDH1A1 (0.52) KDM4EHSD17B10TSHRCASP1ALDH1A1
SCHEMBL4468447 0.79 CNR1 (0.81) KDM4ETSHRALDH1A1PKMPKLR
SCHEMBL4466140 0.79 CNR1 (0.62) TSHRALDH1A1USP2CNR1MEN1
SCHEMBL4465288 0.79 CNR1 (0.54) KDM4EHSD17B10TSHRCASP1ALDH1A1
SCHEMBL4459683 0.78 CNR1 (0.65) KDM4EHSD17B10TSHRALDH1A1PKM
SCHEMBL4460146 0.78 CNR1 (0.79) HSD17B10TSHRALDH1A1PKMPKLR
SCHEMBL4467841 0.77 MAPT (0.66) KDM4EHSD17B10TSHRALDH1A1PKM
SCHEMBL4471278 0.77 CNR1 (0.55) KDM4EHSD17B10TSHRCASP1ALDH1A1

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 12 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
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US 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 KDM4E 1037/4885HSD17B10 348/4885TSHR 1029/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 KDM4E 1271/4885HSD17B10 307/4885TSHR 1171/4885

“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.