SCHEMBL7136459

SCHEMBL7136459

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

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.41
▸ TLR4 O00206 11/20 0.39
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 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
SCHEMBL7136462 1.00 MAPK1 (0.41) MAPK1TLR4CA1CA2CA9
SCHEMBL7141715 0.90 TLR4 (0.38) MAPK1TLR4
SCHEMBL7137280 0.89 TLR4 (0.35) MAPK1TLR4CA2CA9
SCHEMBL7137272 0.89 TLR4 (0.35) MAPK1TLR4CA2CA9
SCHEMBL7144653 0.86 TLR4 (0.36) TLR4
SCHEMBL7141720 0.84 TLR4 (0.34) TLR4
SCHEMBL7143289 0.84 TLR4 (0.41) TLR4
SCHEMBL9786250 0.83 TLR4 (0.51) TLR4
SCHEMBL7144658 0.81 TLR2 (0.36) TLR4
SCHEMBL7144650 0.81 TLR4 (0.31) 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 MAPK1 707/4885TLR4 296/4885CA1 1334/4885

“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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