SCHEMBL12601197

SCHEMBL12601197

C/C=C\OC1OC(COC)C(O)C(OCC[C@@H](CCCCCCC)OC)C1NC(=O)CCCCCCCCC/C=C\CCCCCC

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 7/20 0.66
▸ LPAR1 Q92633 1/20 0.39
▸ MCHR1 Q99705 5/20 0.39
▸ SELP P16109 2/20 0.38
▸ SSTR3 P32745 5/20 0.38
▸ SSTR5 P35346 5/20 0.38
▸ SSTR2 P30874 3/20 0.38
▸ SSTR1 P30872 1/20 0.37
▸ SSTR4 P31391 1/20 0.37

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
SCHEMBL10042148 1.00 TLR4 (0.66) TLR4LPAR1MCHR1SELPSSTR3
SCHEMBL13803789 1.00 TLR4 (0.66) TLR4LPAR1MCHR1SELPSSTR3
SCHEMBL10070895 1.00 TLR4 (0.66) TLR4LPAR1MCHR1SELPSSTR3
SCHEMBL12762975 1.00 TLR4 (0.66) TLR4LPAR1MCHR1SELPSSTR3
SCHEMBL14136616 0.96 TLR4 (0.60) TLR4MCHR1SSTR3SSTR5SSTR2
SCHEMBL12836658 0.93 TLR4 (0.58) TLR4LPAR1SELP
SCHEMBL14136535 0.91 TLR4 (0.70) TLR4MCHR1SELPSSTR3SSTR5
SCHEMBL12600779 0.85 TLR4 (0.61) TLR4LPAR1
SCHEMBL10042150 0.85 TLR4 (0.61) TLR4LPAR1
SCHEMBL13791954 0.85 TLR4 (0.61) TLR4LPAR1

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 4 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
US-7906633-B2 Reagents and methods for preparing LPS antagonist B1287 and stereoisomers thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-15 — — US disclosed
US-7906633-B2 Reagents and methods for preparing LPS antagonist B1287 and stereoisomers thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-15 — — 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 24/4885LPAR1 14/4885MCHR1 702/4885

“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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