SCHEMBL12600389

SCHEMBL12600389

CCCCCCCCCCO[C@@H]1[C@@H](N)[C@@H](C)O[C@@H]2COC(C)(C)O[C@@H]12

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 2/20 0.37
▸ CA2 P00918 3/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ GJB2 P29033 4/20 0.31

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
SCHEMBL4203209 0.83 GBA1 (0.36) GBA1CA2CA1CA9GJB2
SCHEMBL4192378 0.82 GBA1 (0.33) GBA1
SCHEMBL12560682 0.82 GBA1 (0.33) GBA1
SCHEMBL12560698 0.82 GBA1 (0.33) GBA1
SCHEMBL28066822 0.81 GBA1 (0.41) GBA1CA2CA1CA9
SCHEMBL28066867 0.81 GBA1 (0.41) GBA1CA2CA1CA9
SCHEMBL4201783 0.77 GBA1 (0.35) GBA1CA2CA1CA9
SCHEMBL4201778 0.75 GBA1 (0.31) GBA1
SCHEMBL4203567 0.75 CA1 (0.55) GBA1CA2CA1CA9
SCHEMBL9401432 0.75 CA1 (0.55) GBA1CA2CA1CA9

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 GBA1 1978/4885CA2 4524/4885CA1 4286/4885

“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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