SCHEMBL14071676

SCHEMBL14071676

C=CCOP(=O)(OCC=C)O[C@H]1[C@H](OCC[C@H](C=O)CCCCCC)[C@@H](NC(=O)OCC(Cl)(Cl)Cl)C(OC(=N)C(Cl)(Cl)Cl)O[C@@H]1COC

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 4/20 0.37

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
SCHEMBL12371592 0.92 TLR4 (0.45) TLR4
SCHEMBL12371577 0.82 TLR4 (0.45) TLR4
SCHEMBL14071677 0.82 TLR4 (0.47) TLR4
SCHEMBL12371579 0.81 TLR4 (0.44) TLR4
SCHEMBL12762970 0.80 TLR4 (0.51) TLR4
SCHEMBL12836653 0.80 TLR4 (0.51) TLR4
SCHEMBL10042154 0.80 TLR4 (0.59) TLR4
SCHEMBL12600777 0.80 TLR4 (0.59) TLR4
SCHEMBL10071017 0.80 TLR4 (0.59) TLR4
SCHEMBL13302940 0.80 TLR4 (0.59) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227991-A1 Sodium salt of disaccharide compound, production method and use of same EISAI R&D MANAGEMENT CO., LTD. 2008-09-18 — — 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-20080227991-A1 Sodium salt of disaccharide compound, production method and use of same MAN2A1, MAN2B2, MAN2B1 TLR4 557/4885

“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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