SCHEMBL1865403

SCHEMBL1865403

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccccc1Br)OC(CO)C(CO)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.40
TSHR P16473 3/20 0.34
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 4/20 0.33
HIF1A Q16665 1/20 0.33
HPGD P15428 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
MRGPRX1 Q96LB2 2/20 0.32
HTT P42858 2/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CNR2 P34972 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
SCHEMBL1863342 1.00 TLR4 (0.40) TLR4TSHRKDM4EHSD17B10KMT2A
SCHEMBL12634761 0.91 TLR4 (0.41) TLR4TSHRKDM4EHSD17B10KMT2A
SCHEMBL1870224 0.89 TLR4 (0.48) TLR4TSHRKDM4EHSD17B10KMT2A
SCHEMBL1864270 0.89 TLR4 (0.40) TLR4TSHRKDM4EHSD17B10KMT2A
SCHEMBL1862290 0.89 TLR4 (0.48) TLR4TSHRKDM4EHSD17B10KMT2A
SCHEMBL1859769 0.88 TLR4 (0.42) TLR4TSHRKDM4EHSD17B10KMT2A
SCHEMBL1862788 0.88 TLR4 (0.50) TLR4LMNAHIF1AMAPK1MRGPRX1
SCHEMBL2707674 0.88 TLR4 (0.51) TLR4MRGPRX1MAPT
SCHEMBL1858211 0.88 TLR4 (0.38) TLR4TSHRKDM4EHSD17B10KMT2A
SCHEMBL1863192 0.88 TLR4 (0.51) TLR4MRGPRX1MAPT

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 29/4885TSHR 3200/4885KDM4E 4338/4885

“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.