SCHEMBL18789816

SCHEMBL18789816

CCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)NC1C(OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)C(COCc2ccccc2)O[C@H]1OCC1O[C@H](OCc2ccccc2)C(NC(=O)C[C@@H](CCCCCCCCCCC)OCc2ccccc2)C(OC(=O)C[C@@H](CCCCCCCCCCC)OCc2ccccc2)[C@@H]1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 19/20 0.57
▸ SELP P16109 1/20 0.40
▸ LY96 Q9Y6Y9 1/20 0.39

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
SCHEMBL2314049 0.98 TLR4 (0.58) TLR4SELPLY96
SCHEMBL2306482 0.98 TLR4 (0.58) TLR4SELPLY96
SCHEMBL7714520 0.96 TLR4 (0.60) TLR4SELPLY96
SCHEMBL2796027 0.93 TLR4 (0.52) TLR4SELP
SCHEMBL2795892 0.93 TLR4 (0.50) TLR4SELP
SCHEMBL2795891 0.93 TLR4 (0.50) TLR4SELP
SCHEMBL2307147 0.93 TLR4 (0.53) TLR4SELPLY96
SCHEMBL2796375 0.93 TLR4 (0.55) TLR4SELP
SCHEMBL2796372 0.93 TLR4 (0.55) TLR4SELP
SCHEMBL2308769 0.93 TLR4 (0.51) TLR4SELP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170112924-A1 SYNTHETIC DERIVATIVES OF MPL AND USES THEREOF K2 HEALTHVENTURES LLC, AS CANADIAN COLLATERAL AGENT 2017-04-27 — — US 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-20170112924-A1 SYNTHETIC DERIVATIVES OF MPL AND USES THEREOF MPL, CD47, PLTP TLR4 544/4885SELP 86/4885LY96 25/4885

“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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