SCHEMBL12560742

SCHEMBL12560742

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

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ASGR1 P07306 2/20 0.35
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ LGALS8 O00214 1/20 0.32
▸ LGALS3 P17931 1/20 0.32
▸ LGALS4 P56470 1/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL12371582 0.91 MAPK1 (0.33) MAPK1L3MBTL1CNR1CNR2
SCHEMBL12371580 0.91 MAPK1 (0.33) MAPK1L3MBTL1CNR1CNR2
SCHEMBL12600388 0.91 MAPK1 (0.33) MAPK1L3MBTL1CNR1CNR2
SCHEMBL4204268 0.90 TLR4 (0.37) MAPK1CNR1CNR2
SCHEMBL4201778 0.85 GBA1 (0.31) —
SCHEMBL12560736 0.85 MAPK1 (0.40) MAPK1L3MBTL1ASGR1LGALS8LGALS3
SCHEMBL7566809 0.85 L3MBTL1 (0.34) L3MBTL1
SCHEMBL4198168 0.85 GBA1 (0.36) MAPK1
SCHEMBL4192378 0.83 GBA1 (0.33) —
SCHEMBL7141048 0.82 TLR4 (0.32) —

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 2123/4885L3MBTL1 94/4885ASGR1 1480/4885

“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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