SCHEMBL6801798

SCHEMBL6801798

CCCCCCCCCCCCCC(=O)N[C@H]1[C@@H](OC)O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H]1OC(=O)CCc1ccc(OCCCCCCCC)c(OCCCCCCCC)c1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 10/20 0.41
▸ LY96 Q9Y6Y9 6/20 0.41
▸ FGF1 P05230 2/20 0.35
▸ FGF2 P09038 2/20 0.35
▸ HPSE Q9Y251 2/20 0.35

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
SCHEMBL9512979 0.98 TLR4 (0.38) TLR4LY96FGF2
SCHEMBL9511906 0.97 TLR4 (0.41) TLR4LY96FGF2
SCHEMBL6807592 0.82 SMPD1 (0.41) TLR4LY96
SCHEMBL8431664 0.81 TLR4 (0.45) TLR4LY96
SCHEMBL9513498 0.81 SMPD1 (0.42) —
SCHEMBL9511533 0.80 TLR4 (0.48) TLR4LY96
SCHEMBL10417944 0.80 TLR4 (0.48) TLR4LY96
SCHEMBL9511499 0.78 SMPD1 (0.40) TLR4LY96
SCHEMBL9514279 0.76 SMPD1 (0.42) —
SCHEMBL10417895 0.74 TLR4 (0.36) TLR4LY96

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 367/4885LY96 1411/4885FGF1 1932/4885

“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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