SCHEMBL18789819

SCHEMBL18789819

CCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)NC1C(OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@H](O)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 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 14/20 0.56
▸ SELP P16109 4/20 0.42
▸ SSTR4 P31391 2/20 0.39
▸ SSTR1 P30872 1/20 0.38
▸ SSTR2 P30874 1/20 0.38
▸ SSTR3 P32745 1/20 0.38
▸ SSTR5 P35346 1/20 0.38

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
SCHEMBL2316002 0.97 TLR4 (0.56) TLR4SELPSSTR4SSTR1SSTR2
SCHEMBL2306676 0.97 TLR4 (0.56) TLR4SELPSSTR4SSTR1SSTR2
SCHEMBL2306681 0.97 TLR4 (0.56) TLR4SELPSSTR4SSTR1SSTR2
SCHEMBL2315995 0.97 TLR4 (0.56) TLR4SELPSSTR4SSTR1SSTR2
SCHEMBL7714520 0.93 TLR4 (0.60) TLR4SELP
SCHEMBL2311952 0.92 TLR4 (0.49) TLR4SELP
SCHEMBL2311946 0.92 TLR4 (0.49) TLR4SELP
SCHEMBL2306694 0.92 TLR4 (0.52) TLR4SELPSSTR4SSTR1SSTR2
SCHEMBL2306688 0.92 TLR4 (0.52) TLR4SELPSSTR4SSTR1SSTR2
SCHEMBL18789816 0.91 TLR4 (0.57) 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 86/4885SSTR4 1002/4885

“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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