SCHEMBL1864495

SCHEMBL1864495

CCOC(=O)C1=CCCCC1S(=O)(=O)Nn1cccc1CC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 9/20 0.52
ALDH1A1 P00352 5/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.32
EPHX2 P34913 2/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ELANE P08246 1/20 0.32
HPGD P15428 1/20 0.32
CASP3 P42574 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL1860136 0.92 TLR4 (0.51) TLR4ALDH1A1LMNAGAAEPHX2
SCHEMBL1870237 0.90 TLR4 (0.49) TLR4ALDH1A1LMNAGAAEPHX2
SCHEMBL1865305 0.89 TLR4 (0.54) TLR4ALDH1A1LMNAGAAEPHX2
SCHEMBL1866422 0.89 TLR4 (0.49) TLR4ALDH1A1LMNAGAAEPHX2
SCHEMBL1862256 0.88 TLR4 (0.48) TLR4ALDH1A1LMNAEPHX2POLB
SCHEMBL1865665 0.88 TLR4 (0.48) TLR4ALDH1A1LMNAEPHX2POLB
SCHEMBL1860858 0.88 TLR4 (0.48) TLR4ALDH1A1LMNAEPHX2POLB
SCHEMBL1863965 0.88 TLR4 (0.52) TLR4ALDH1A1LMNAGAAEPHX2
SCHEMBL1870350 0.88 TLR4 (0.57) TLR4ALDH1A1LMNAGAAEPHX2
SCHEMBL1862000 0.87 TLR4 (0.52) TLR4ALDH1A1LMNAGAAEPHX2

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.