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Sugi Predict / Compounds / SCHEMBL12635802

SCHEMBL12635802

SCHEMBL12635802

CCCCCC/C=C\CCCCCCCCCC(=O)N[C@H]1[C@H](OC[C@H]2O[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]1OCCC(O)CCCCCCC

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 19/20 0.73
▸ LY96 Q9Y6Y9 6/20 0.45

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
SCHEMBL12635801 0.97 TLR4 (0.68) TLR4LY96
SCHEMBL12635809 0.96 TLR4 (0.67) TLR4LY96
SCHEMBL12635807 0.94 TLR4 (0.65) TLR4LY96
SCHEMBL15292208 0.93 TLR4 (0.85) TLR4LY96
SCHEMBL12356755 0.93 TLR4 (0.85) TLR4LY96
SCHEMBL13488524 0.92 TLR4 (0.87) TLR4LY96
SCHEMBL12560458 0.91 TLR4 (0.67) TLR4LY96
SCHEMBL12635812 0.91 TLR4 (0.70) TLR4LY96
SCHEMBL16638207 0.90 TLR4 (0.80) TLR4LY96
SCHEMBL12635882 0.89 TLR4 (0.73) 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-9006210-B2 Compositions and methods for treating corneal inflammation CASE WESTERN RESERVE UNIVERSITY (US) 2015-04-14 — — US disclosed
US-20110105426-A1 COMPOSITIONS AND METHODS FOR TREATING CORNEAL INFLAMMATION CASE WESTERN RESERVE UNIVERSITY 2011-05-05 — — 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-20110105426-A1 COMPOSITIONS AND METHODS FOR TREATING CORNEAL INFLAMMATION TLR4, TLR2, TLR3 TLR4 1/4885LY96 51/4885

“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.