SCHEMBL1863483

SCHEMBL1863483

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1c(Cl)cc(F)cc1Br)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 9/20 0.49
IDH1 O75874 1/20 0.33
WDR5 P61964 1/20 0.32
EGFR P00533 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL1861989 0.94 TLR4 (0.52) TLR4KDM4EHSD17B10ALDH1A1
SCHEMBL1869111 0.91 TLR4 (0.50) TLR4KDM4EHSD17B10ALDH1A1
SCHEMBL1867516 0.89 TLR4 (0.47) TLR4IDH1WDR5
SCHEMBL1867885 0.88 TLR4 (0.46) TLR4KDM4EHSD17B10ALDH1A1
SCHEMBL1865713 0.84 TLR4 (0.54) TLR4
SCHEMBL1863576 0.84 TLR4 (0.68) TLR4ALDH1A1
SCHEMBL1862876 0.83 TLR4 (0.39) TLR4CA1CA2ALDH1A1
SCHEMBL1865628 0.83 TLR4 (0.45) TLR4KDM4EHSD17B10ALDH1A1
SCHEMBL1868615 0.83 TLR4 (0.50) TLR4KDM4EALDH1A1
SCHEMBL1859826 0.83 TLR4 (0.46) TLR4KDM4EHSD17B10CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43858-E1 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-12-11 US disclosed
US-7935835-B2 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-03 US disclosed
US-7935835-B2 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-03 US disclosed
US-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
US-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
EP-1935879-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-06-25 EP disclosed
EP-1935879-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-06-25 EP 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 (1 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-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE CD40, LITAF, TNF TLR4 29/4885IDH1 3749/4885WDR5 4199/4885

“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.