SCHEMBL1870373

SCHEMBL1870373

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccc(F)cc1F)OC(CO)C(CO)O2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.53
MRGPRX1 Q96LB2 5/20 0.36
TSPO P30536 1/20 0.36
HRH1 P35367 1/20 0.36
MAPK14 Q16539 1/20 0.35
THRB P10828 1/20 0.35
TP53 P04637 2/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL1865197 1.00 TLR4 (0.53) TLR4MRGPRX1TSPOHRH1MAPK14
SCHEMBL1863515 1.00 TLR4 (0.53) TLR4MRGPRX1TSPOHRH1MAPK14
SCHEMBL12634813 0.93 TLR4 (0.53) TLR4MRGPRX1TSPOHRH1
SCHEMBL1868646 0.93 TLR4 (0.53) TLR4MRGPRX1TSPOHRH1
SCHEMBL1866346 0.92 TLR4 (0.65) TLR4MRGPRX1TSPOHRH1TP53
SCHEMBL2707674 0.92 TLR4 (0.51) TLR4MRGPRX1TSPOHRH1
SCHEMBL1863192 0.92 TLR4 (0.51) TLR4MRGPRX1TSPOHRH1
SCHEMBL1866486 0.92 TLR4 (0.65) TLR4MRGPRX1TSPOHRH1TP53
SCHEMBL1862850 0.92 TLR4 (0.65) TLR4MRGPRX1TSPOHRH1TP53
SCHEMBL1865942 0.92 TLR4 (0.51) TLR4MRGPRX1TSPOHRH1

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 10 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-RE43858-E1 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-12-11 US 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.