SCHEMBL1867680

SCHEMBL1867680

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccc(OC)cc1F)OCCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.51
KMT2A Q03164 3/20 0.38
POLB P06746 3/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 4/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RCE1 Q9Y256 1/20 0.35
PRKCZ Q05513 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
LMNA P02545 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
SCHEMBL1864603 0.91 KMT2A (0.47) TLR4KMT2APOLBMEN1MAPT
SCHEMBL1864126 0.90 TLR4 (0.54) TLR4HPGDKDM4EHSD17B10CYP2C9
SCHEMBL1863967 0.90 TLR4 (0.55) TLR4L3MBTL1HSD17B10CYP2C9CYP2C19
SCHEMBL1861643 0.89 TLR4 (0.66) TLR4KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL1867268 0.87 TLR4 (0.49) TLR4POLBMAPTALDH1A1HPGD
SCHEMBL1862651 0.87 TLR4 (0.51) TLR4HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL1866325 0.87 TLR4 (0.49) TLR4KMT2AMEN1L3MBTL1MAPT
SCHEMBL1862365 0.85 TLR4 (0.53) TLR4KDM4EHSD17B10
SCHEMBL1864322 0.85 TLR4 (0.55) TLR4KDM4ELMNA
SCHEMBL1865592 0.85 TLR4 (0.49) TLR4POLBMAPTALDH1A1HPGD

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 29/4885KMT2A 4559/4885POLB 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.