SCHEMBL6807622

SCHEMBL6807622

CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)N[C@H]1[C@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)CCCCCCCCCCCCC

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 18/20 0.57
▸ SELP P16109 1/20 0.45
▸ LY96 Q9Y6Y9 3/20 0.44
▸ LGALS8 O00214 1/20 0.44

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
SCHEMBL6795483 1.00 TLR4 (0.57) TLR4SELPLY96LGALS8
SCHEMBL6800991 1.00 TLR4 (0.57) TLR4SELPLY96LGALS8
SCHEMBL6807623 1.00 TLR4 (0.57) TLR4SELPLY96LGALS8
SCHEMBL10613216 0.98 TLR4 (0.60) TLR4SELPLY96LGALS8
SCHEMBL8431958 0.97 TLR4 (0.54) TLR4SELPLY96
SCHEMBL8436288 0.97 TLR4 (0.54) TLR4SELPLY96
SCHEMBL10418883 0.96 TLR4 (0.54) TLR4SELPLY96
SCHEMBL8431429 0.96 TLR4 (0.53) TLR4SELPLY96LGALS8
SCHEMBL10613554 0.95 TLR4 (0.56) TLR4SELPLY96
SCHEMBL10418884 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040072767-A1 Glucopyranose derivatives and medicaments for preventing and/or treating HIV infection diseases comprising the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. 2004-04-15 — — US disclosed
EP-1095653-A9 GLUCOPYRANOSE DERIVATIVES AND PREVENTIVES AND/OR REMEDIES FOR HIV INFECTION CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-04-03 — — EP disclosed
EP-1095653-A1 GLUCOPYRANOSE DERIVATIVES AND PREVENTIVES AND/OR REMEDIES FOR HIV INFECTION CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-05-02 — — 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-20040072767-A1 Glucopyranose derivatives and medicaments for preventing and/or treating HIV infection diseases comprising the same as an active ingredient UGGT1, SLC5A1, G6PD TLR4 367/4885SELP 1329/4885LY96 1411/4885

“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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