SCHEMBL25413955

SCHEMBL25413955

CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@H](OC[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)C(=O)O)O[C@H](CO[C@@H]2O[C@H](COC(=O)OCc3ccccc3)[C@@H](OP(=O)(OCc3ccccc3)OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2NC(=O)OCC(Cl)(Cl)Cl)[C@@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@@H]1OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 18/20 0.58
▸ TNF P01375 1/20 0.34
▸ SELP P16109 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
SCHEMBL25413950 1.00 TLR4 (0.58) TLR4TNFSELP
SCHEMBL25413433 0.95 TLR4 (0.59) TLR4TNFSELP
SCHEMBL25413442 0.95 TLR4 (0.59) TLR4TNFSELP
SCHEMBL26980076 0.95 TLR4 (0.59) TLR4SELP
SCHEMBL25412006 0.95 TLR4 (0.59) TLR4SELP
SCHEMBL25414669 0.93 TLR4 (0.63) TLR4SELP
SCHEMBL25414674 0.88 TLR4 (0.64) TLR4SELP
SCHEMBL25414680 0.88 TLR4 (0.64) TLR4SELP
SCHEMBL25413780 0.87 TLR4 (0.63) TLR4SELP
SCHEMBL25413774 0.87 TLR4 (0.63) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240002425-A1 NOVEL AMINOALKYL GLUCOSAMINIDE 4-PHOSPHATE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2024-01-04 — — US disclosed
EP-4245763-A1 NOVEL AMINOALKYL GLUCOSAMINIDE 4-PHOSPHATE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2023-09-20 — — 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-20240002425-A1 NOVEL AMINOALKYL GLUCOSAMINIDE 4-PHOSPHATE DERIVATIVE TLR4, TLR5, TLR9 TLR4 1/4885TNF 2512/4885SELP 672/4885

“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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