Sugi Predict

Sugi Predict / Compounds / SCHEMBL12356755

SCHEMBL12356755

SCHEMBL12356755

CCCCCC/C=C\CCCCCCCCCC(=O)N[C@H]1[C@H](OCC2O[C@H](OP(=O)(O)O)[C@H](NC(=O)CC(=O)CCCCCCCCCCC)[C@@H](OCCCCCCCCCC)[C@@H]2O)O[C@H](CCO)[C@@H](O)[C@@H]1OCC[C@@H](CCCCCCC)OC

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 20/20 0.85
▸ LY96 Q9Y6Y9 1/20 0.44

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
SCHEMBL15292208 1.00 TLR4 (0.85) TLR4LY96
SCHEMBL16638207 0.97 TLR4 (0.80) TLR4LY96
SCHEMBL12635822 0.94 TLR4 (0.76) TLR4LY96
SCHEMBL12635802 0.93 TLR4 (0.73) TLR4LY96
SCHEMBL12635882 0.93 TLR4 (0.73) TLR4LY96
SCHEMBL12635798 0.93 TLR4 (0.73) TLR4LY96
SCHEMBL12635883 0.93 TLR4 (0.73) TLR4LY96
Eritoran SCHEMBL14081112 0.92 TLR4 (1.00) TLR4LY96
Eritoran SCHEMBL21378839 0.92 TLR4 (1.00) TLR4LY96
Eritoran SCHEMBL10042160 0.92 TLR4 (1.00) TLR4LY96

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-20160022717-A1 ADMINISTRATION OF ERITORAN OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT ORTHOMYXOVIRUS INFECTIONS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2016-01-28 — — US disclosed
US-20110201569-A1 Methods For Treating Myocardial Disorders EHRENTRAUT HEIDI 2011-08-18 — — 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 (2 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-20160022717-A1 ADMINISTRATION OF ERITORAN OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF TO TREAT ORTHOMYXOVIRUS INFECTIONS ERLIN1, ERLIN2, ERO1A TLR4 395/4885LY96 4125/4885
US-20110201569-A1 Methods For Treating Myocardial Disorders TNNI3, TNNT2, TNNC1 TLR4 4215/4885LY96 4559/4885

“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.