SCHEMBL1865715

SCHEMBL1865715

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccc(F)c(OC)c1)OCCO2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.43
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
SHMT2 P34897 1/20 0.37
HRH2 P25021 1/20 0.36
TRPC5 Q9UL62 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP17A1 P05093 1/20 0.35
NR3C1 P04150 1/20 0.35
HIF1A Q16665 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL1869394 0.91 TLR4 (0.46) TLR4LMNAHPGDMAPTSMN1; SMN2
SCHEMBL1866297 0.89 TLR4 (0.48) TLR4LMNAHPGDMEN1MAPT
SCHEMBL1861011 0.88 TLR4 (0.43) TLR4GAAKMT2AHIF1ASMN1; SMN2
SCHEMBL1869694 0.86 TLR4 (0.47) TLR4HPGDMEN1GAAMAPT
SCHEMBL1865497 0.85 TLR4 (0.46) TLR4LMNAHPGDMEN1GAA
SCHEMBL1862680 0.84 TLR4 (0.45) TLR4LMNAHPGDMEN1MAPT
SCHEMBL1862365 0.83 TLR4 (0.53) TLR4KDM4EHSD17B10
SCHEMBL1865592 0.83 TLR4 (0.49) TLR4LMNAHPGDMAPTSMN1; SMN2
SCHEMBL1862651 0.83 TLR4 (0.51) TLR4HPGDSMN1; SMN2KDM4EHSD17B10
SCHEMBL1867680 0.83 TLR4 (0.51) TLR4LMNAHPGDMEN1MAPT

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 6 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
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 1566/4885HPGD 989/4885

“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.