SCHEMBL1865713

SCHEMBL1865713

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccc(F)cc1Br)OCCO2

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 7/20 0.54
MRGPRX1 Q96LB2 6/20 0.36
TSPO P30536 2/20 0.36
HRH1 P35367 1/20 0.36
KCNH2 Q12809 2/20 0.34
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL1863967 0.91 TLR4 (0.55) TLR4MRGPRX1TSPOHRH1
SCHEMBL1864322 0.91 TLR4 (0.55) TLR4MRGPRX1TSPOHRH1
SCHEMBL1863950 0.91 TLR4 (0.44) TLR4MAPTNPSR1
SCHEMBL1865534 0.90 TLR4 (0.52) TLR4MRGPRX1MAPT
SCHEMBL1863576 0.90 TLR4 (0.68) TLR4MRGPRX1TSPOHRH1NPSR1
SCHEMBL1862365 0.89 TLR4 (0.53) TLR4MRGPRX1TSPOHRH1
SCHEMBL1863192 0.89 TLR4 (0.51) TLR4MRGPRX1TSPOHRH1KCNH2
SCHEMBL2707674 0.89 TLR4 (0.51) TLR4MRGPRX1TSPOHRH1KCNH2
SCHEMBL1862065 0.89 TLR4 (0.51) TLR4MRGPRX1TSPOHRH1KCNH2
SCHEMBL1865942 0.89 TLR4 (0.51) TLR4MRGPRX1TSPOHRH1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1935879-B1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2016-05-11 EP disclosed
EP-1935879-B1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2016-05-11 EP disclosed
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

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 29/4885MRGPRX1 1203/4885TSPO 2824/4885

“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.