SCHEMBL3369161

SCHEMBL3369161

CCCCCCCCS(=O)(=O)NCCN

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RELA Q04206 4/20 0.70
CA2 P00918 7/20 0.44
PPARA Q07869 2/20 0.44
FAAH O00519 2/20 0.43
CA1 P00915 3/20 0.42
DNM1 Q05193 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
SCHEMBL6044984 0.92 RELA (0.59) RELACA2PPARACA1
SCHEMBL14081714 0.89 RELA (0.81) RELACA2PPARACA1DNM1
SCHEMBL29098369 0.89 RELA (0.81) RELACA2PPARACA1DNM1
SCHEMBL14081731 0.88 RELA (0.79) RELACA2PPARAFAAHCA1
SCHEMBL14081732 0.88 RELA (0.79) RELACA2PPARAFAAHCA1
SCHEMBL8468160 0.85 RELA (0.71) RELACA2PPARAFAAHCA1
SCHEMBL9609767 0.85 RELA (0.71) RELACA2PPARAFAAHCA1
SCHEMBL18572502 0.85 RELA (0.71) RELACA2PPARAFAAHCA1
SCHEMBL7687766 0.85 RELA (0.66) RELACA2PPARAFAAHCA1
SCHEMBL7685651 0.85 RELA (0.71) RELACA2PPARAFAAHCA1

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-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BIOMARIN PHARMACEUTICAL INC. (US) 2012-10-04 US disclosed
US-20100105607-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 US disclosed
WO-2010048340-A2 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-04-29 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-20100105607-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, ALG8, ALG1 RELA 2252/4885CA2 3594/4885PPARA 3299/4885
US-20120252741-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS ASNS, DNPEP, ALG8 RELA 2123/4885CA2 2937/4885PPARA 2922/4885

“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.