SCHEMBL4159467

SCHEMBL4159467

CC(=O)NC[C@@H]1OC2(C=C(C(=O)O)C(S(=O)(=O)Nc3ccc(F)cc3Cl)CC2)O[C@H]1CNC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 5/20 0.48
PSEN1 P49768 4/20 0.40
PSEN2 P49810 4/20 0.40
APH1B Q8WW43 4/20 0.40
NCSTN Q92542 4/20 0.40
APH1A Q96BI3 4/20 0.40
PSENEN Q9NZ42 4/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
NAMPT P43490 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.32
POLB P06746 1/20 0.32
RORC P51449 1/20 0.32

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
SCHEMBL1869908 0.90 TLR4 (0.61) TLR4PSEN1PSEN2APH1BNCSTN
SCHEMBL1869905 0.90 TLR4 (0.61) TLR4PSEN1PSEN2APH1BNCSTN
SCHEMBL17727727 0.89 TLR4 (0.49) TLR4PSEN1PSEN2APH1BNCSTN
SCHEMBL4146514 0.89 TLR4 (0.49) TLR4PSEN1PSEN2APH1BNCSTN
SCHEMBL14136690 0.89 TLR4 (0.49) TLR4PSEN1PSEN2APH1BNCSTN
SCHEMBL4141115 0.89 TLR4 (0.49) TLR4PSEN1PSEN2APH1BNCSTN
SCHEMBL4143552 0.87 TLR4 (0.51) TLR4PSEN1PSEN2APH1BNCSTN
SCHEMBL4149935 0.87 TLR4 (0.51) TLR4PSEN1PSEN2APH1BNCSTN
SCHEMBL4153029 0.87 TLR4 (0.51) TLR4PSEN1PSEN2APH1BNCSTN
SCHEMBL1865788 0.85 TLR4 (0.50) TLR4NPC1RAB9AKMT2ALMNA

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 3 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-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 29/4885PSEN1 4599/4885PSEN2 4752/4885

“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.