SCHEMBL1864396

SCHEMBL1864396

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccc(C(C)(C)C)cc1Cl)OCCO2

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.52
NAMPT P43490 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CCR9 P51686 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL1864530 0.90 TLR4 (0.55) TLR4ALDH1A1MEN1KMT2A
SCHEMBL1861968 0.90 TLR4 (0.55) TLR4NAMPTALDH1A1MEN1KMT2A
SCHEMBL1864104 0.88 TLR4 (0.54) TLR4ALDH1A1
SCHEMBL1863576 0.88 TLR4 (0.68) TLR4ALDH1A1KMT2A
SCHEMBL1862805 0.86 TLR4 (0.50) TLR4ALDH1A1MEN1KMT2A
SCHEMBL1869385 0.85 TLR4 (0.67) TLR4ALDH1A1KMT2A
SCHEMBL1862070 0.85 TLR4 (0.67) TLR4KMT2A
SCHEMBL1865330 0.84 TLR4 (0.54) TLR4ALDH1A1
SCHEMBL1872614 0.84 TLR4 (0.51) TLR4ALDH1A1MEN1KMT2A
SCHEMBL1865243 0.83 TLR4 (0.68) TLR4KMT2A

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 6 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

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 29/4885NAMPT 4606/4885ALDH1A1 4252/4885

“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.