SCHEMBL13716717

SCHEMBL13716717

C#CCOC(=O)C(CSCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)NC(=O)OCC=C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC17A5 Q9NRA2 1/20 0.48
▸ MDM4 O15151 3/20 0.45
▸ TP53 P04637 3/20 0.45
▸ CASP3 P42574 2/20 0.43
▸ MDM2 Q00987 5/20 0.42
▸ CASP1 P29466 2/20 0.41
▸ TLR2 O60603 2/20 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
SCHEMBL17633384 0.85 SLC17A5 (0.49) SLC17A5MDM4TP53CASP3MDM2
SCHEMBL8139788 0.84 CASP1 (0.48) SLC17A5MDM4TP53CASP3CASP1
SCHEMBL6989365 0.84 CASP1 (0.48) SLC17A5MDM4TP53CASP3CASP1
SCHEMBL28259215 0.82 MDM4 (0.50) SLC17A5MDM4TP53CASP3MDM2
SCHEMBL28259217 0.82 MDM4 (0.50) SLC17A5MDM4TP53CASP3MDM2
SCHEMBL24264727 0.81 SLC17A5 (0.47) SLC17A5MDM4TP53CASP3CASP1
SCHEMBL29386847 0.81 SLC17A5 (0.44) SLC17A5MDM4TP53CASP3CASP1
SCHEMBL29624261 0.81 SLC17A5 (0.49) SLC17A5MDM4TP53CASP3MDM2
SCHEMBL19888241 0.80 SLC17A5 (0.58) SLC17A5MDM4TP53CASP3MDM2
SCHEMBL17633370 0.80 MDM2 (0.51) MDM4TP53CASP3MDM2CASP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215985-A1 DIFFERENTIALLY PROTECTED ORTHOGONAL LANTHIONINE TECHNOLOGY ORAGENICS, INC. 2009-08-27 — — US disclosed
US-7521529-B2 Differentially protected orthogonal lanthionine technology ORAGENICS, INC. (US) 2009-04-21 — — US disclosed
US-20070037963-A1 Lantibiotics; biosynthesis; solid phase synthesis; deblocking, deprotecting ORAGENICS, INC. 2007-02-15 — — 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-20090215985-A1 DIFFERENTIALLY PROTECTED ORTHOGONAL LANTHIONINE TECHNOLOGY VIP, LGMN, LNPEP SLC17A5 1006/4885MDM4 3168/4885TP53 4167/4885
US-20070037963-A1 Lantibiotics; biosynthesis; solid phase synthesis; deblocking, deprotecting VIP, NISCH, COASY SLC17A5 2377/4885MDM4 3177/4885TP53 4328/4885

“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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