SCHEMBL12560770

SCHEMBL12560770

CCO[C@H]1O[C@@H]2COC(C)(C)O[C@H]2[C@H](O)[C@H]1NC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ASGR1 P07306 6/20 0.37
▸ PKM P14618 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ LGALS8 O00214 1/20 0.32
▸ LGALS3 P17931 1/20 0.32
▸ LGALS4 P56470 1/20 0.32
▸ CD69 Q07108 1/20 0.32

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
SCHEMBL14542000 0.90 MAPK1 (0.51) MAPK1ALDH1A1L3MBTL1ASGR1PKM
SCHEMBL16135488 0.89 MAPK1 (0.39) MAPK1ALDH1A1L3MBTL1ASGR1PKM
SCHEMBL10209192 0.88 ALDH1A1 (0.40) MAPK1ALDH1A1L3MBTL1ASGR1PKM
SCHEMBL7567193 0.88 ALDH1A1 (0.36) MAPK1ALDH1A1L3MBTL1ASGR1PKM
SCHEMBL7886992 0.88 ALDH1A1 (0.36) MAPK1ALDH1A1L3MBTL1ASGR1PKM
SCHEMBL7889397 0.88 ALDH1A1 (0.36) MAPK1ALDH1A1L3MBTL1ASGR1PKM
SCHEMBL12762995 0.88 ASGR1 (0.35) MAPK1ALDH1A1L3MBTL1ASGR1PKM
SCHEMBL14217637 0.85 MAPK1 (0.37) MAPK1ALDH1A1L3MBTL1ASGR1PKM
SCHEMBL15258382 0.85 MAPK1 (0.37) MAPK1ALDH1A1L3MBTL1ASGR1PKM
SCHEMBL5308210 0.84 L3MBTL1 (0.54) ALDH1A1L3MBTL1PKMKMT2A

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 MAPK1 2123/4885ALDH1A1 3887/4885L3MBTL1 94/4885

“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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