SCHEMBL20547534

SCHEMBL20547534

CCCCCCCCCCCCCCCC(=O)OCCSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 2/20 0.48
▸ TLR2 O60603 6/20 0.48
▸ KMT2A Q03164 1/20 0.42
▸ MDM4 O15151 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ SLC17A5 Q9NRA2 1/20 0.41
▸ MDM2 Q00987 1/20 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
SCHEMBL22636830 0.91 TLR2 (0.57) TNFTLR2KMT2AMDM4TP53
SCHEMBL18708299 0.91 TLR2 (0.57) TNFTLR2KMT2AMDM4TP53
SCHEMBL18689465 0.91 TLR2 (0.57) TNFTLR2KMT2AMDM4TP53
SCHEMBL22636832 0.91 TLR2 (0.57) TNFTLR2KMT2AMDM4TP53
SCHEMBL22636827 0.91 TLR2 (0.57) TNFTLR2KMT2AMDM4TP53
SCHEMBL30141761 0.91 TLR2 (0.57) TNFTLR2KMT2AMDM4TP53
SCHEMBL18689466 0.91 TLR2 (0.57) TNFTLR2KMT2AMDM4TP53
SCHEMBL22636828 0.91 TLR2 (0.57) TNFTLR2KMT2AMDM4TP53
SCHEMBL2453440 0.87 TLR2 (0.51) TNFTLR2
SCHEMBL2417308 0.87 TLR2 (0.51) TNFTLR2

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-12016918-B2 Peptide-containing adjuvant compounds having peg spacers UNIVERSITEIT LEIDEN (NL) 2024-06-25 — — US disclosed
US-20200188512-A1 ADJUVANT COMPOUNDS UNIVERSITEIT LEIDEN (NL) 2020-06-18 — — US disclosed
EP-3615062-A1 ADJUVANT COMPOUNDS Universiteit Leiden (NL) 2020-03-04 — — EP disclosed
WO-2018197582-A1 ADJUVANT COMPOUNDS UNIVERSITEIT LEIDEN (NL) 2018-11-01 — — 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 (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-12016918-B2 Peptide-containing adjuvant compounds having peg spacers MYD88, CD74, NGLY1 TNF 364/4885TLR2 28/4885KMT2A 3733/4885
US-20200188512-A1 ADJUVANT COMPOUNDS MYD88, CD74, TLR3 TNF 407/4885TLR2 13/4885KMT2A 3647/4885

“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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