SCHEMBL1865534

SCHEMBL1865534

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccc(Cl)cc1Br)OCCO2

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.52
MRGPRX1 Q96LB2 2/20 0.36
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.34
EGFR P00533 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 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
SCHEMBL1863950 0.91 TLR4 (0.44) TLR4MAPTMAPK1GAA
SCHEMBL1864530 0.91 TLR4 (0.55) TLR4MRGPRX1MAPTNPC1POLB
SCHEMBL1865330 0.91 TLR4 (0.54) TLR4MRGPRX1MAPTLMNAPOLB
SCHEMBL1865713 0.90 TLR4 (0.54) TLR4MRGPRX1MAPT
SCHEMBL1861643 0.90 TLR4 (0.66) TLR4MRGPRX1MAPTLMNAKDM4E
SCHEMBL1872614 0.89 TLR4 (0.51) TLR4MRGPRX1MAPTLMNAMAPK1
SCHEMBL1862788 0.89 TLR4 (0.50) TLR4MRGPRX1MAPTLMNAPOLB
SCHEMBL1866303 0.89 TLR4 (0.51) TLR4MRGPRX1MAPTLMNAPOLB
SCHEMBL1859878 0.89 TLR4 (0.57) TLR4MRGPRX1MAPTLMNAKDM4E
SCHEMBL1860848 0.88 TLR4 (0.42) TLR4MAPTNPC1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
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.