SCHEMBL1865706

SCHEMBL1865706

CCOC(=O)C1=CC2(CCC1S(=O)(=O)Nc1ccc(F)cc1Cl)OC(COC(=O)c1ccccc1)C(COC(=O)c1ccccc1)O2

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 8/20 0.60
GAA P10253 1/20 0.36
MRGPRX1 Q96LB2 4/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSPO P30536 1/20 0.33
CETP P11597 1/20 0.33
P2RY12 Q9H244 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
SCHEMBL1862042 1.00 TLR4 (0.60) TLR4GAAMRGPRX1LMNAKDM4E
SCHEMBL4157181 0.92 TLR4 (0.50) TLR4GAAMRGPRX1ALDH1A1POLB
SCHEMBL1862992 0.92 TLR4 (0.62) TLR4MRGPRX1LMNATSPO
SCHEMBL1863029 0.91 TLR4 (0.63) TLR4MRGPRX1LMNATSPO
SCHEMBL1864585 0.91 TLR4 (0.63) TLR4MRGPRX1LMNATSPO
SCHEMBL1864172 0.90 TLR4 (0.57) TLR4MRGPRX1LMNATSPO
SCHEMBL1862038 0.90 TLR4 (0.57) TLR4GAAMRGPRX1LMNAKDM4E
SCHEMBL1863367 0.90 TLR4 (0.57) TLR4GAAMRGPRX1LMNAKDM4E
SCHEMBL1866346 0.89 TLR4 (0.65) TLR4MRGPRX1LMNATSPO
SCHEMBL1866486 0.89 TLR4 (0.65) TLR4MRGPRX1LMNATSPO

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
EP-1935879-B1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2016-05-11 EP disclosed
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
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 29/4885GAA 4358/4885MRGPRX1 1203/4885

“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.