SCHEMBL1860668

SCHEMBL1860668

CCOC(=O)C1=CCCCC1S(=O)(=O)Nn1c(C)ccc1C

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 9/20 0.58
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
HPGD P15428 2/20 0.36
GAA P10253 2/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 2/20 0.35
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL1868639 0.88 TLR4 (0.56) TLR4ALDH1A1LMNAHPGDGAA
SCHEMBL1863220 0.88 TLR4 (0.61) TLR4ALDH1A1LMNAHPGDGAA
SCHEMBL1865305 0.84 TLR4 (0.54) TLR4ALDH1A1LMNAHPGDGAA
SCHEMBL1861096 0.83 TLR4 (0.55) TLR4ALDH1A1LMNAHPGDGAA
SCHEMBL1870350 0.80 TLR4 (0.57) TLR4ALDH1A1LMNAGAAPOLB
SCHEMBL1864495 0.80 TLR4 (0.52) TLR4ALDH1A1LMNAHPGDGAA
SCHEMBL1863965 0.80 TLR4 (0.52) TLR4ALDH1A1LMNAGAAPOLB
SCHEMBL871427 0.80 TLR4 (0.62) TLR4ALDH1A1HPGDGAAPOLB
SCHEMBL16491621 0.79 TLR4 (0.57) TLR4ALDH1A1LMNAHPGDPOLB
SCHEMBL10178083 0.79 TLR4 (0.55) TLR4ALDH1A1LMNAGAAPOLB

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 29/4885ALDH1A1 4252/4885LMNA 1566/4885

“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.