SCHEMBL1862788

SCHEMBL1862788

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccc(Cl)cc1Br)O[C@H](CO)[C@@H](CO)O2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.50
MRGPRX1 Q96LB2 2/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.33
GAA P10253 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HIF1A Q16665 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL1869580 0.92 TLR4 (0.53) TLR4MRGPRX1MAPTLMNAPOLB
SCHEMBL1865942 0.90 TLR4 (0.51) TLR4MRGPRX1MAPTNPSR1
SCHEMBL1862065 0.90 TLR4 (0.51) TLR4MRGPRX1MAPTNPSR1
SCHEMBL2707674 0.90 TLR4 (0.51) TLR4MRGPRX1MAPTNPSR1
SCHEMBL1863192 0.90 TLR4 (0.51) TLR4MRGPRX1MAPTNPSR1
SCHEMBL1865534 0.89 TLR4 (0.52) TLR4MRGPRX1MAPTLMNAGAA
SCHEMBL1863342 0.88 TLR4 (0.40) TLR4MRGPRX1MAPTLMNAGAA
SCHEMBL1865403 0.88 TLR4 (0.40) TLR4MRGPRX1MAPTLMNAGAA
SCHEMBL4153824 0.88 TLR4 (0.36) TLR4MRGPRX1CA12CA1CA2
SCHEMBL1869229 0.86 TLR4 (0.53) TLR4MRGPRX1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 29/4885MRGPRX1 1203/4885MAPT 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.