SCHEMBL12560728

SCHEMBL12560728

C/C=C\O[C@H]1O[C@H](CC)[C@@H](O)[C@H](OCCCCCCCCCC)[C@H]1NC(=O)CC(=O)CCCCCCCCCCC

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 10/20 0.46
▸ MAPK1 P28482 1/20 0.41
▸ LY96 Q9Y6Y9 3/20 0.36
▸ GBA1 P04062 3/20 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
SCHEMBL12560697 1.00 TLR4 (0.46) TLR4MAPK1LY96GBA1
SCHEMBL12762967 1.00 TLR4 (0.46) TLR4MAPK1LY96GBA1
SCHEMBL12560681 1.00 TLR4 (0.46) TLR4MAPK1LY96GBA1
SCHEMBL12560669 0.94 MAPK1 (0.49) TLR4MAPK1LY96
SCHEMBL12560694 0.94 MAPK1 (0.49) TLR4MAPK1LY96
SCHEMBL12762965 0.94 MAPK1 (0.49) TLR4MAPK1LY96
SCHEMBL12763047 0.94 MAPK1 (0.49) TLR4MAPK1LY96
SCHEMBL12600975 0.88 TLR4 (0.45) TLR4MAPK1LY96
SCHEMBL12600842 0.88 TLR4 (0.45) TLR4MAPK1LY96
SCHEMBL13296777 0.86 MAPK1 (0.42) TLR4MAPK1LY96

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-8399634-B2 Reagents and methods for preparing LPS antagonist B1287 and stereoisomers thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 — — US disclosed
US-20110152508-A1 REAGENTS AND METHODS FOR PREPARING LPS ANTAGONIST B1287 AND STEREOISOMERS THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-23 — — 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-20110152508-A1 REAGENTS AND METHODS FOR PREPARING LPS ANTAGONIST B1287 AND STEREOISOMERS THEREOF LTB4R2, LTB4R, LITAF TLR4 24/4885MAPK1 2123/4885LY96 28/4885

“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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