SCHEMBL13716720

SCHEMBL13716720

CC(CSCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC17A5 Q9NRA2 1/20 0.53
▸ PPARA Q07869 3/20 0.49
▸ PPARG P37231 1/20 0.49
▸ TNF P01375 1/20 0.49
▸ MDM4 O15151 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ CASP3 P42574 1/20 0.46
▸ IDO1 P14902 1/20 0.46
▸ TDO2 P48775 1/20 0.46
▸ PTPN1 P18031 2/20 0.45
▸ TLR2 O60603 1/20 0.45

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
SCHEMBL17446645 0.89 HDAC1 (0.57) SLC17A5PPARAPPARGTNFMDM4
SCHEMBL17446655 0.85 HDAC1 (0.50) SLC17A5HDAC1HDAC2IDO1PTPN1
SCHEMBL29908094 0.84 SLC17A5 (0.61) SLC17A5PPARAPPARGMDM4TP53
SCHEMBL29401307 0.84 SLC17A5 (0.61) SLC17A5PPARAPPARGMDM4TP53
SCHEMBL119188 0.84 SLC17A5 (0.61) SLC17A5PPARAPPARGMDM4TP53
SCHEMBL27620508 0.84 SLC17A5 (0.61) SLC17A5PPARAPPARGMDM4TP53
SCHEMBL15788337 0.84 SLC17A5 (0.54) SLC17A5MDM4TP53CASP3TLR2
SCHEMBL15788342 0.84 SLC17A5 (0.54) SLC17A5MDM4TP53CASP3TLR2
SCHEMBL1486194 0.83 SLC17A5 (0.58) SLC17A5TNFMDM4TP53CASP3
SCHEMBL29398108 0.83 SLC17A5 (0.58) SLC17A5TNFMDM4TP53CASP3

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 1006/4885PPARA 3764/4885PPARG 4776/4885
US-20070037963-A1 Lantibiotics; biosynthesis; solid phase synthesis; deblocking, deprotecting VIP, NISCH, COASY SLC17A5 2377/4885PPARA 4128/4885PPARG 4757/4885

“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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