SCHEMBL1865150

SCHEMBL1865150

CCCCCCCCc1cc(F)ccc1NS(=O)(=O)C1CCC2(C=C1C(=O)OCC)OC(CO)C(CO)O2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 6/20 0.47
MRGPRX1 Q96LB2 6/20 0.33
TSPO P30536 2/20 0.33
HRH1 P35367 1/20 0.33
METAP2 P50579 1/20 0.33
KDM4E B2RXH2 1/20 0.31
NOD2 Q9HC29 1/20 0.31
PTPN1 P18031 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
LMNA P02545 1/20 0.30
RECQL P46063 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
SCHEMBL1866815 1.00 TLR4 (0.47) TLR4MRGPRX1TSPOHRH1METAP2
SCHEMBL1864091 1.00 TLR4 (0.47) TLR4MRGPRX1TSPOHRH1METAP2
SCHEMBL1865568 1.00 TLR4 (0.47) TLR4MRGPRX1TSPOHRH1METAP2
SCHEMBL1870179 1.00 TLR4 (0.47) TLR4MRGPRX1TSPOHRH1METAP2
SCHEMBL1864627 1.00 TLR4 (0.47) TLR4MRGPRX1TSPOHRH1METAP2
SCHEMBL1863864 1.00 TLR4 (0.47) TLR4MRGPRX1TSPOHRH1METAP2
SCHEMBL1865684 1.00 TLR4 (0.47) TLR4MRGPRX1TSPOHRH1METAP2
SCHEMBL1864233 1.00 TLR4 (0.47) TLR4MRGPRX1TSPOHRH1METAP2
SCHEMBL1864118 1.00 TLR4 (0.47) TLR4MRGPRX1TSPOHRH1METAP2
SCHEMBL1866031 1.00 TLR4 (0.47) TLR4MRGPRX1TSPOHRH1METAP2

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 9 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 claimed
US-7935835-B2 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-03 US claimed
US-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US claimed
EP-1935879-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-06-25 EP claimed
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-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.