SCHEMBL1869860

SCHEMBL1869860

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1c(C)cccc1Cl)O[C@H](CO)[C@@H](CO)O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 7/20 0.42
LMNA P02545 3/20 0.32
MAPT P10636 2/20 0.32
CYP2C9 P11712 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
KMT2A Q03164 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GAA P10253 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TP53 P04637 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32

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
SCHEMBL1865124 1.00 TLR4 (0.42) TLR4LMNAMAPTCYP2C9KDM4E
SCHEMBL14136714 0.89 MAPT (0.33) TLR4MAPTMEN1KMT2ATP53
SCHEMBL4153528 0.89 MAPT (0.33) TLR4MAPTMEN1KMT2ATP53
SCHEMBL1863824 0.89 TLR4 (0.43) TLR4LMNAMAPTCYP2C9KDM4E
SCHEMBL1864734 0.88 TLR4 (0.40) TLR4LMNAMAPTCYP2C9KDM4E
SCHEMBL1870224 0.88 TLR4 (0.48) TLR4LMNAMAPTKDM4EMEN1
SCHEMBL1862290 0.88 TLR4 (0.48) TLR4LMNAMAPTKDM4EMEN1
SCHEMBL12634761 0.86 TLR4 (0.41) TLR4LMNAMAPTKDM4EMEN1
SCHEMBL1868615 0.85 TLR4 (0.50) TLR4LMNAMAPTKDM4EALDH1A1
SCHEMBL1865628 0.84 TLR4 (0.45) TLR4LMNAMAPTCYP2C9KDM4E

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 5 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
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 29/4885LMNA 1566/4885MAPT 4856/4885

“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.