SCHEMBL1865330

SCHEMBL1865330

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

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.54
LMNA P02545 4/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MRGPRX1 Q96LB2 2/20 0.37
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.35
CNR2 P34972 1/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL1864530 0.93 TLR4 (0.55) TLR4POLBALDH1A1MRGPRX1MAPT
SCHEMBL1866303 0.92 TLR4 (0.51) TLR4LMNAPOLBMRGPRX1MAPT
SCHEMBL1865534 0.91 TLR4 (0.52) TLR4LMNAPOLBMRGPRX1MAPT
SCHEMBL1861643 0.91 TLR4 (0.66) TLR4LMNAALDH1A1MRGPRX1MAPT
SCHEMBL1872614 0.91 TLR4 (0.51) TLR4LMNAALDH1A1MRGPRX1MAPT
SCHEMBL1859878 0.90 TLR4 (0.57) TLR4LMNAMRGPRX1MAPTUSP2
SCHEMBL1864322 0.89 TLR4 (0.55) TLR4LMNAMRGPRX1
SCHEMBL1861968 0.87 TLR4 (0.55) TLR4LMNAALDH1A1MRGPRX1MAPT
SCHEMBL1865497 0.87 TLR4 (0.46) TLR4LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL1861053 0.87 TLR4 (0.43) TLR4LMNAALDH1A1MAPTMAPK1

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 29/4885LMNA 1566/4885POLB 3715/4885

“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.