SCHEMBL1872614

SCHEMBL1872614

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1cc(Cl)ccc1Cl)OCCO2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.51
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 5/20 0.40
MAPT P10636 5/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 1/20 0.35
MRGPRX1 Q96LB2 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
SCHEMBL1864530 0.93 TLR4 (0.55) TLR4ALDH1A1MAPTKMT2AMEN1
SCHEMBL1859878 0.92 TLR4 (0.57) TLR4KDM4ELMNAGAAMAPT
SCHEMBL1865330 0.91 TLR4 (0.54) TLR4ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL1861643 0.89 TLR4 (0.66) TLR4KDM4EALDH1A1LMNAMAPT
SCHEMBL1865534 0.89 TLR4 (0.52) TLR4KDM4ELMNAGAAMAPT
SCHEMBL1862805 0.89 TLR4 (0.50) TLR4KDM4EALDH1A1LMNAGAA
SCHEMBL1866303 0.89 TLR4 (0.51) TLR4LMNAGAAMAPTMRGPRX1
SCHEMBL1861968 0.87 TLR4 (0.55) TLR4KDM4EALDH1A1LMNAMAPT
SCHEMBL1865497 0.87 TLR4 (0.46) TLR4KDM4EALDH1A1LMNAGAA
SCHEMBL1862680 0.86 TLR4 (0.45) TLR4KDM4EALDH1A1LMNAMAPT

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 29/4885KDM4E 4338/4885ALDH1A1 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.