SCHEMBL7136889

SCHEMBL7136889

C=CCO[C@H]1O[C@H](COC(=O)OCc2ccccc2)[C@@H](O)[C@H](OCC[C@@H](CCCCCCCCCCC)OCc2ccc(OC)cc2)[C@H]1NC(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC5A1 P13866 2/20 0.36
▸ SLC5A2 P31639 2/20 0.36
▸ TLR4 O00206 2/20 0.35
▸ MCHR1 Q99705 10/20 0.35
▸ SSTR3 P32745 5/20 0.34
▸ SSTR5 P35346 5/20 0.34
▸ SSTR2 P30874 3/20 0.34
▸ SSTR1 P30872 1/20 0.33
▸ SSTR4 P31391 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CYP2C19 P33261 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
SCHEMBL7136893 0.95 SLC5A1 (0.33) SLC5A1SLC5A2TLR4CYP3A4MAPK1
SCHEMBL7144653 0.93 TLR4 (0.36) TLR4MCHR1SSTR3SSTR5SSTR2
SCHEMBL7137272 0.90 TLR4 (0.35) SLC5A1TLR4MCHR1SSTR3SSTR5
SCHEMBL7137280 0.90 TLR4 (0.35) SLC5A1TLR4MCHR1SSTR3SSTR5
SCHEMBL7133789 0.90 TLR4 (0.34) SLC5A1SLC5A2TLR4CYP3A4MAPK1
SCHEMBL7133793 0.90 TLR4 (0.34) SLC5A1SLC5A2TLR4CYP3A4MAPK1
SCHEMBL7141794 0.89 TLR4 (0.35) TLR4MCHR1SSTR3SSTR5SSTR2
SCHEMBL7144658 0.87 TLR2 (0.36) TLR4
SCHEMBL7141796 0.83 TLR4 (0.32) TLR4
SCHEMBL7136812 0.83 TLR4 (0.34) TLR4

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 SLC5A1 1006/4885SLC5A2 2011/4885TLR4 296/4885

“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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