SCHEMBL3927729

SCHEMBL3927729

CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)NCCO[C@H]1O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)[C@@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC.CCN(CC)CC

nearest known ligand 0.93

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 19/20 0.93
LY96 Q9Y6Y9 4/20 0.56

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
SCHEMBL2007369 1.00 TLR4 (0.93) TLR4LY96
SCHEMBL3925251 1.00 TLR4 (0.93) TLR4LY96
SCHEMBL3927723 1.00 TLR4 (0.93) TLR4LY96
SCHEMBL2007366 1.00 TLR4 (0.93) TLR4LY96
SCHEMBL3925245 1.00 TLR4 (0.93) TLR4LY96
SCHEMBL7069618 1.00 TLR4 (0.93) TLR4LY96
SCHEMBL3928640 1.00 TLR4 (0.93) TLR4LY96
SCHEMBL3928631 1.00 TLR4 (0.93) TLR4LY96
SCHEMBL6062580 0.96 TLR4 (1.00) TLR4LY96
SCHEMBL14376659 0.96 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7541020-B2 Aminoalkyl glucosaminide phosphate compounds and their use as adjuvants and immunoeffectors CORIXA CORPORATION (US) 2009-06-02 US disclosed
US-7063967-B2 Aminoalkyl glucosaminide phosphate compounds and their use as adjuvants and immunoeffectors CORIXA CORPORATION (US) 2006-06-20 US disclosed
US-20040063647-A1 Novel amphipathic aldehydes and their use as adjuvants and immunoeffectors CORIXA CORPORATION 2004-04-01 US disclosed
US-6649172-B2 5-(p-carboxybenzyloxy)-2-oxybenzaldehyde derivatives; vaccine adjuvants CORIXA CORPORATION 2003-11-18 US disclosed
US-20030199460-A1 Aminoalkyl glucosaminide phosphate compounds and their use as adjuvants and immunoeffectors CORIXA CORPORATION (US) 2003-10-23 US disclosed
US-20030092643-A1 Aminoalkyl glucosaminide phosphate compounds and their use as adjuvants and immunoeffectors CORIXA CORPORATION 2003-05-15 US disclosed
WO-2003037275-A2 COMPOSITIONS AND METHODS FOR VIRAL DELIVERY CORIXA CORPORATION (US) 2003-05-08 WO disclosed
EP-1265840-A2 NOVEL AMPHIPATHIC ALDEHYDES AND THEIR USE AS ADJUVANTS AND IMMUNOEFFECTORS CORIXA CORPORATION (US) 2002-12-18 EP disclosed
US-20010053363-A1 Novel amphipathic aldehydes and their uses as adjuvants and immunoeffectors CORIXA CORPORATION 2001-12-20 US disclosed
WO-2001070663-A2 NOVEL AMPHIPATHIC ALDEHYDES AND THEIR USE AS ADJUVANTS AND IMMUNOEFFECTORS CORIXA CORPORATION (US) 2001-09-27 WO 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 (4 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-20030199460-A1 Aminoalkyl glucosaminide phosphate compounds and their use as adjuvants and immunoeffectors DNPEP, CD68, MGAT3 TLR4 70/4885LY96 87/4885
US-20030092643-A1 Aminoalkyl glucosaminide phosphate compounds and their use as adjuvants and immunoeffectors DNPEP, CD68, MGAT3 TLR4 70/4885LY96 87/4885
US-20040063647-A1 Novel amphipathic aldehydes and their use as adjuvants and immunoeffectors MAVS, TLR3, LY96 TLR4 8/4885LY96 3/4885
US-20010053363-A1 Novel amphipathic aldehydes and their uses as adjuvants and immunoeffectors MAVS, TLR3, LY96 TLR4 7/4885LY96 3/4885

“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.