SCHEMBL1867117

SCHEMBL1867117

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccccc1C(C)C)OCCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
NLRP3 Q96P20 1/20 0.38
P2RY12 Q9H244 1/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 1/20 0.34
MRGPRX1 Q96LB2 2/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 3/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HPGD P15428 2/20 0.33
HCRTR1 O43613 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
SCHEMBL1860798 0.93 TLR4 (0.40) TLR4L3MBTL1TSHRKDM4EHSD17B10
SCHEMBL1861053 0.89 TLR4 (0.43) TLR4L3MBTL1TSHRKDM4EHSD17B10
SCHEMBL1868580 0.88 MRGPRX1 (0.45) TLR4HSD17B10KMT2AMRGPRX1LMNA
SCHEMBL1866081 0.88 TLR4 (0.42) TLR4L3MBTL1TSHRKDM4EHSD17B10
SCHEMBL1859769 0.87 TLR4 (0.42) TLR4L3MBTL1TSHRKDM4EHSD17B10
SCHEMBL1866089 0.87 KDM4E (0.42) TLR4L3MBTL1TSHRKDM4EHSD17B10
SCHEMBL1867851 0.87 TLR4 (0.42) TLR4L3MBTL1TSHRKDM4EHSD17B10
SCHEMBL1866325 0.87 TLR4 (0.49) TLR4L3MBTL1TSHRKDM4EHSD17B10
SCHEMBL1862805 0.87 TLR4 (0.50) TLR4TSHRKDM4EHSD17B10KMT2A
SCHEMBL1859103 0.87 TLR4 (0.42) TLR4L3MBTL1TSHRKDM4EHSD17B10

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 5 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-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

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 29/4885L3MBTL1 418/4885NLRP3 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.