SCHEMBL1867516

SCHEMBL1867516

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1c(Cl)cc(F)cc1Br)O[C@H](CO)[C@@H](CO)O2

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 9/20 0.47
IDH1 O75874 1/20 0.33
WDR5 P61964 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
SCHEMBL1868615 0.94 TLR4 (0.50) TLR4
SCHEMBL1865696 0.92 TLR4 (0.48) TLR4
SCHEMBL1863483 0.89 TLR4 (0.49) TLR4IDH1WDR5
SCHEMBL4142573 0.88 TLR4 (0.34) TLR4IDH1
SCHEMBL2707674 0.85 TLR4 (0.51) TLR4
SCHEMBL1862850 0.85 TLR4 (0.65) TLR4
SCHEMBL1863192 0.85 TLR4 (0.51) TLR4
SCHEMBL1866486 0.85 TLR4 (0.65) TLR4
SCHEMBL1866346 0.85 TLR4 (0.65) TLR4
SCHEMBL1865942 0.85 TLR4 (0.51) TLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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.