SCHEMBL1866303

SCHEMBL1866303

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)OC)OCCO2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.51
MRGPRX1 Q96LB2 8/20 0.41
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
CMA1 P23946 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
HRH1 P35367 1/20 0.33
TSPO P30536 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
SCHEMBL1865330 0.92 TLR4 (0.54) TLR4MRGPRX1MAPTPOLBLMNA
SCHEMBL1864530 0.90 TLR4 (0.55) TLR4MRGPRX1MAPTPOLB
SCHEMBL1861643 0.89 TLR4 (0.66) TLR4MRGPRX1MAPTLMNA
SCHEMBL1865534 0.89 TLR4 (0.52) TLR4MRGPRX1MAPTGAAPOLB
SCHEMBL1872614 0.89 TLR4 (0.51) TLR4MRGPRX1MAPTGAALMNA
SCHEMBL1859878 0.88 TLR4 (0.57) TLR4MRGPRX1MAPTGAALMNA
SCHEMBL1861968 0.85 TLR4 (0.55) TLR4MRGPRX1MAPTLMNAHRH1
SCHEMBL1865497 0.85 TLR4 (0.46) TLR4MAPTGAALMNA
SCHEMBL1863576 0.83 TLR4 (0.68) TLR4MRGPRX1GAALMNAHRH1
SCHEMBL1864104 0.83 TLR4 (0.54) TLR4MAPTGAALMNATHRB

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.