SCHEMBL16407973

SCHEMBL16407973

CCC(=O)N[C@H](CSC[C@H](COC(=O)CC)OC(=O)CC)C(=O)NNC(CO)C(=O)N[C@@H](CCCCN)C(=O)NC(CCCCN)C(=O)N[C@@H](CCCCN)C(=O)C(=O)[C@H](CCCCN)NC(C)C

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 18/20 0.46
▸ NMT2 O60551 1/20 0.35
▸ NMT1 P30419 1/20 0.35

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
SCHEMBL16407972 0.92 TLR2 (0.51) TLR2
SCHEMBL15934372 0.72 TLR2 (0.65) TLR2
SCHEMBL15932938 0.72 TLR2 (0.65) TLR2
SCHEMBL15926156 0.72 TLR2 (0.65) TLR2
SCHEMBL10300022 0.71 TLR2 (0.80) TLR2
SCHEMBL183536 0.71 TLR2 (0.80) TLR2
SCHEMBL31748153 0.71 TLR2 (0.80) TLR2
SCHEMBL17666587 0.71 TLR2 (0.80) TLR2
SCHEMBL29349553 0.71 TLR2 (0.80) TLR2
Hydrochloric Acid SCHEMBL29773433 0.70 TLR2 (0.79) TLR2

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-20170072037-A1 Xenoantigen-Displaying Anti-Cancer Vaccines and Method of Making THE UNIVERSITY OF TOLEDO (US) 2017-03-16 — — US disclosed
US-20150024037-A1 Xenoantigen-Displaying Anti-Cancer Vaccines and Method of Making THE UNIVERSITY OF TOLEDO (US) 2015-01-22 — — 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-20170072037-A1 Xenoantigen-Displaying Anti-Cancer Vaccines and Method of Making CSGALNACT1, B3GAT3, LGALS3BP TLR2 710/4885NMT2 187/4885NMT1 132/4885
US-20150024037-A1 Xenoantigen-Displaying Anti-Cancer Vaccines and Method of Making CSGALNACT1, GALNT1, DPAGT1 TLR2 66/4885NMT2 149/4885NMT1 98/4885

“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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