SCHEMBL4142573

SCHEMBL4142573

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

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 4/20 0.34
IDH1 O75874 1/20 0.33

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
SCHEMBL4153518 0.94 TLR4 (0.36) TLR4
SCHEMBL4138573 0.91 TLR4 (0.35) TLR4
SCHEMBL1867516 0.88 TLR4 (0.47) TLR4IDH1
SCHEMBL1867519 0.84 TLR4 (0.33) TLR4IDH1
SCHEMBL17727727 0.84 TLR4 (0.49) TLR4
SCHEMBL14136752 0.84 TLR4 (0.37) TLR4
SCHEMBL4146514 0.84 TLR4 (0.49) TLR4
SCHEMBL14136690 0.84 TLR4 (0.49) TLR4
SCHEMBL15093757 0.84 TLR4 (0.37) TLR4
SCHEMBL4141115 0.84 TLR4 (0.49) 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 3 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-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 3749/4885

“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.