SCHEMBL3731963

SCHEMBL3731963

CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@H](OC[C@@H]2CCCN2C(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)O[C@H](CO)[C@@H](OP(=O)(Oc2ccccc2)Oc2ccccc2)[C@@H]1OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 19/20 0.57
LY96 Q9Y6Y9 6/20 0.41

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
SCHEMBL3733856 1.00 TLR4 (0.57) TLR4LY96
SCHEMBL3739987 1.00 TLR4 (0.57) TLR4LY96
SCHEMBL13900939 0.89 TLR4 (0.70) TLR4LY96
SCHEMBL15197566 0.89 TLR4 (0.70) TLR4LY96
SCHEMBL13041679 0.89 TLR4 (0.70) TLR4LY96
SCHEMBL3747057 0.89 TLR4 (0.70) TLR4LY96
SCHEMBL13041682 0.89 TLR4 (0.70) TLR4LY96
SCHEMBL15197571 0.89 TLR4 (0.70) TLR4LY96
SCHEMBL3739190 0.89 TLR4 (0.70) TLR4LY96
SCHEMBL13041680 0.89 TLR4 (0.70) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1482955-B1 PROPHYLACTIC AND THERAPEUTIC TREATMENT OF INFECTIOUS AND OTHER DISEASES WITH IMMUNOEFFECTOR COMPOUNDS CORIXA CORP (US) 2013-12-25 EP disclosed
US-7829542-B2 Prophylactic and therapeutic treatment of infectious and other diseases with immunoeffector compounds CORIXA CORPORATION (US) 2010-11-09 US disclosed
EP-1482795-B1 NEW IMMUNOEFFECTOR COMPOUNDS CORIXA CORP (US) 2009-11-11 EP disclosed
US-20080227729-A1 PROPHYLACTIC AND THERAPEUTIC TREATMENT OF INFECTIOUS AND OTHER DISEASES WITH IMMUNOEFFECTOR COMPOUNDS CORIXA CORPORATION (US) 2008-09-18 US disclosed
EP-1482955-A4 PROPHYLACTIC AND THERAPEUTIC TREATMENT OF INFECTIOUS AND OTHER DISEASES WITH IMMUNOEFFECTOR COMPOUNDS CORIXA CORP (US) 2008-08-06 EP disclosed
US-20050192250-A1 Prophylactic and therapeutic treatment of infectious and other diseases with immunoeffector compounds CORIXA CORPORATION (US) 2005-09-01 US disclosed
US-6911434-B2 Prophylactic and therapeutic treatment of infectious and other diseases with immunoeffector compounds CORIXA CORPORATION (US) 2005-06-28 US disclosed
EP-1482955-A1 PROPHYLACTIC AND THERAPEUTIC TREATMENT OF INFECTIOUS AND OTHER DISEASES WITH IMMUNOEFFECTOR COMPOUNDS CORIXA CORPORATION (US) 2004-12-08 EP disclosed
WO-2003066065-A1 PROPHYLACTIC AND THERAPEUTIC TREATMENT OF INFECTIOUS AND OTHER DISEASES WITH IMMUNOEFFECTOR COMPOUNDS CORIXA CORPORATION (US) 2003-08-14 WO disclosed
US-20030148993-A1 Prophylactic and therapeutic treatment of infectious and other diseases with immunoeffector compounds CORIXA CORPORATION 2003-08-07 US disclosed
US-6525028-B1 2-deoxy-2-amino- beta -D-glucopyranose (glucosamine) glycosidically linked to a cyclic aminoalkyl (aglycon) group; presence or absence of an antigen CORIXA CORPORATION 2003-02-25 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 (3 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-20050192250-A1 Prophylactic and therapeutic treatment of infectious and other diseases with immunoeffector compounds NFATC1, AGPS, HLA-DRB1 TLR4 119/4885LY96 113/4885
US-20080227729-A1 PROPHYLACTIC AND THERAPEUTIC TREATMENT OF INFECTIOUS AND OTHER DISEASES WITH IMMUNOEFFECTOR COMPOUNDS NFATC1, AGPS, HLA-DRB1 TLR4 119/4885LY96 113/4885
US-20030148993-A1 Prophylactic and therapeutic treatment of infectious and other diseases with immunoeffector compounds NFATC1, AGPS, HLA-DRB1 TLR4 119/4885LY96 113/4885

“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.