SCHEMBL1865628

SCHEMBL1865628

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1c(Cl)cccc1Cl)OCCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.35
NLRP3 Q96P20 1/20 0.35
CYP2C9 P11712 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
HIF1A Q16665 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TP53 P04637 2/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL1863824 0.95 TLR4 (0.43) TLR4SMN1; SMN2NLRP3CYP2C9MEN1
SCHEMBL1859826 0.94 TLR4 (0.46) TLR4SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1866883 0.90 TLR4 (0.47) TLR4CYP2C9MEN1KMT2AMAPT
SCHEMBL1862805 0.90 TLR4 (0.50) TLR4SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1866369 0.89 TLR4 (0.46) TLR4SMN1; SMN2NLRP3MEN1KMT2A
SCHEMBL1861989 0.89 TLR4 (0.52) TLR4SMN1; SMN2MAPTKDM4EHSD17B10
SCHEMBL1862876 0.89 TLR4 (0.39) TLR4SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1865497 0.85 TLR4 (0.46) TLR4SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1870302 0.85 TLR4 (0.40) TLR4SMN1; SMN2CYP2C9MEN1KMT2A
SCHEMBL1862680 0.85 TLR4 (0.45) TLR4SMN1; SMN2MEN1KMT2AMAPT

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 29/4885SMN1; SMN2 4512/4885NLRP3 513/4885

“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.