SCHEMBL3408972

SCHEMBL3408972

COc1ccc(CC(=O)c2c(O)cc(C)cc2O)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
SLC5A1 P13866 2/20 0.60
SLC5A2 P31639 2/20 0.60
MEN1 O00255 3/20 0.58
HPGD P15428 3/20 0.58
KMT2A Q03164 3/20 0.58
CYP3A4 P08684 2/20 0.58
NPC1 O15118 2/20 0.58
ALDH1A1 P00352 1/20 0.58
RAB9A P51151 1/20 0.58
ATM Q13315 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HSP90AA1 P07900 1/20 0.56
MAPT P10636 2/20 0.55
GAA P10253 1/20 0.55
HTT P42858 2/20 0.50
USP2 O75604 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL1224101 0.89 SLC5A1 (0.75) NFKB1NFKB2RELASLC5A1SLC5A2
SCHEMBL1682159 0.86 NFKB1 (0.83) NFKB1NFKB2RELASLC5A1SLC5A2
SCHEMBL3408341 0.84 LMNA (0.69) NFKB1NFKB2RELASLC5A1SLC5A2
SCHEMBL5622859 0.82 NFKB1 (0.62) NFKB1NFKB2RELASLC5A1SLC5A2
SCHEMBL5623783 0.81 NFKB1 (0.61) NFKB1NFKB2RELASLC5A1SLC5A2
SCHEMBL29586231 0.79 HSP90AA1 (0.64) NFKB1NFKB2RELAMEN1HPGD
SCHEMBL5624104 0.79 SMN1; SMN2 (0.56) NFKB1NFKB2RELASLC5A1SLC5A2
SCHEMBL4422487 0.78 NPC1 (0.56) NFKB1NFKB2RELAMEN1HPGD
SCHEMBL12808060 0.78 MMP2 (0.60) MEN1HPGDKMT2ACYP3A4NPC1
SCHEMBL11628971 0.77 SLC5A1 (0.71) NFKB1NFKB2RELASLC5A1SLC5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816331-B2 Substituted indazole-O-glucosides JANSSEN PHARMACEUTICA NV (BE) 2010-10-19 US disclosed
US-20100062971-A1 SUBSTITUTED INDAZOLE-O-GLUCOSIDES PATEL MONA 2010-03-11 US disclosed
EP-1680414-A4 SUBSTITUTED INDAZOLE-O-GLUCOSIDES JANSSEN PHARMACEUTICA NV (BE) 2009-05-27 EP disclosed
US-20090099104-A1 SUBSTITUTED INDAZOLES-O- GLUCOSIDES PATEL MONA 2009-04-16 US disclosed
US-7511021-B2 Substituted indazole-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-31 US disclosed
US-20060217323-A1 Substituted indazole-O-glucosides Tanabe Pharma Corporation (JP) 2006-09-28 US disclosed
US-7084124-B2 Substituted indazole-O-glucosides JANSSEN PHARMACEUTICA, N.V. (BE) 2006-08-01 US disclosed
EP-1680414-A2 SUBSTITUTED INDAZOLE-O-GLUCOSIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-19 EP disclosed
US-20050032711-A1 Substituted indazole-O-glucosides JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 US disclosed
WO-2005011592-A2 SUBSTITUTED INDAZOLE-O-GLUCOSIDES JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 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 (4 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-20050032711-A1 Substituted indazole-O-glucosides GYS2, GPR119, UGGT1 NFKB1 2284/4885NFKB2 2729/4885RELA 1876/4885
US-20100062971-A1 SUBSTITUTED INDAZOLE-O-GLUCOSIDES GYS2, GPR119, UGGT1 NFKB1 2284/4885NFKB2 2729/4885RELA 1876/4885
US-20090099104-A1 SUBSTITUTED INDAZOLES-O- GLUCOSIDES GYS2, GPR119, PYGL NFKB1 1816/4885NFKB2 2316/4885RELA 1332/4885
US-20060217323-A1 Substituted indazole-O-glucosides GYS2, GPR119, UGGT1 NFKB1 2284/4885NFKB2 2729/4885RELA 1876/4885

“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.