SCHEMBL1866369

SCHEMBL1866369

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1c(F)cccc1F)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.46
TSHR P16473 1/20 0.36
NLRP3 Q96P20 1/20 0.35
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 1/20 0.33
RECQL P46063 1/20 0.33
MAPK1 P28482 2/20 0.33
TP53 P04637 2/20 0.33
CREBBP Q92793 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL1859826 0.95 TLR4 (0.46) TLR4TSHRHSD17B10KDM4EMEN1
SCHEMBL1866325 0.90 TLR4 (0.49) TLR4TSHRLMNANPSR1HSD17B10
SCHEMBL1867885 0.90 TLR4 (0.46) TLR4LMNANPSR1HSD17B10KDM4E
SCHEMBL1862876 0.89 TLR4 (0.39) TLR4LMNANPSR1MEN1KMT2A
SCHEMBL1865628 0.89 TLR4 (0.45) TLR4TSHRNLRP3LMNANPSR1
SCHEMBL1863824 0.87 TLR4 (0.43) TLR4TSHRNLRP3LMNANPSR1
SCHEMBL1862651 0.87 TLR4 (0.51) TLR4TSHRNPSR1HSD17B10KDM4E
SCHEMBL1869694 0.86 TLR4 (0.47) TLR4NPSR1KDM4EMEN1KMT2A
SCHEMBL1870302 0.86 TLR4 (0.40) TLR4TSHRNPSR1MEN1KMT2A
SCHEMBL1861989 0.86 TLR4 (0.52) TLR4TSHRLMNANPSR1HSD17B10

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 29/4885TSHR 3200/4885NLRP3 513/4885

“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.