SCHEMBL1865497

SCHEMBL1865497

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccc(Cl)cc1)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.46
MAPT P10636 2/20 0.43
GAA P10253 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 3/20 0.40
RECQL P46063 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HIF1A Q16665 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL1869694 0.90 TLR4 (0.47) TLR4MAPTGAASMN1; SMN2NPSR1
SCHEMBL1870302 0.90 TLR4 (0.40) TLR4MAPTGAASMN1; SMN2NPSR1
SCHEMBL1862680 0.90 TLR4 (0.45) TLR4MAPTSMN1; SMN2NPSR1HPGD
SCHEMBL1866297 0.89 TLR4 (0.48) TLR4MAPTSMN1; SMN2HPGDKDM4E
SCHEMBL1869394 0.88 TLR4 (0.46) TLR4MAPTSMN1; SMN2HPGDRECQL
SCHEMBL1865330 0.87 TLR4 (0.54) TLR4MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL1864530 0.87 TLR4 (0.55) TLR4MAPTHPGDMEN1KMT2A
SCHEMBL1872614 0.87 TLR4 (0.51) TLR4MAPTGAASMN1; SMN2NPSR1
SCHEMBL1859878 0.86 TLR4 (0.57) TLR4MAPTGAAKDM4EMEN1
SCHEMBL1865628 0.85 TLR4 (0.45) TLR4MAPTGAASMN1; SMN2NPSR1

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 29/4885MAPT 4856/4885GAA 4358/4885

“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.