SCHEMBL7144658

SCHEMBL7144658

C=CCO[C@H]1O[C@H](COC(=O)OCc2ccccc2)[C@@H](OCC=C)[C@H](OCC[C@H](CCCCCCCCCCC)OCCCCCCCCCCCC)[C@@H]1NC(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 4/20 0.36
▸ TLR4 O00206 7/20 0.33
▸ TNF P01375 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MBOAT4 Q96T53 1/20 0.32
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31

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
SCHEMBL7144653 0.94 TLR4 (0.36) TLR2TLR4MBOAT4
SCHEMBL7136893 0.93 SLC5A1 (0.33) TLR2TLR4TNFLMNAKMT2A
SCHEMBL7136807 0.92 TLR4 (0.34) TLR2TLR4LMNAKMT2A
SCHEMBL7136812 0.92 TLR4 (0.34) TLR2TLR4LMNAKMT2A
SCHEMBL7136889 0.87 SLC5A1 (0.36) TLR4
SCHEMBL2313871 0.86 TLR4 (0.41) TLR2TLR4TNFLMNAKMT2A
SCHEMBL7133789 0.86 TLR4 (0.34) TLR4
SCHEMBL7133793 0.86 TLR4 (0.34) TLR4
SCHEMBL7141779 0.84 TLR4 (0.36) TLR4TNFLMNAKMT2A
SCHEMBL7141782 0.84 TLR4 (0.36) TLR4TNFLMNAKMT2A

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-6511965-B2 For therapy and prophylaxis of inflammatory disorders, autoimmune diseases or septicemia SANKYO COMPANY, LIMITED (JP) 2003-01-28 — — US disclosed
US-20020161221-A1 Ether type lipid a 1-carboxylic acid analogs SANKYO COMPANY, LIMITED (JP) 2002-10-31 — — US disclosed
EP-1152007-A1 ETHER TYPE LIPID A1-CARBOXYLIC ACID ANALOGUES Sankyo Company, Limited (JP) 2001-11-07 — — 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-20020161221-A1 Ether type lipid a 1-carboxylic acid analogs MSR1, ELOVL1, FFAR1 TLR2 165/4885TLR4 296/4885TNF 589/4885

“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.

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