SCHEMBL5332446

SCHEMBL5332446

NC(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.68
▸ GSTK1 Q9Y2Q3 1/20 0.68
▸ GLO1 Q04760 5/20 0.60
▸ NOD1 Q9Y239 4/20 0.42
▸ FOLH1 Q04609 2/20 0.40
▸ GRM8 O00222 1/20 0.39
▸ GRM6 O15303 1/20 0.39
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39
▸ GSR P00390 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ GRIK1 P39086 1/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ GRIA1 P42261 1/20 0.39
▸ GRIA2 P42262 1/20 0.39
▸ GRIA3 P42263 1/20 0.39
▸ SLC1A3 P43003 1/20 0.39
▸ SLC1A2 P43004 1/20 0.39
▸ SLC1A1 P43005 1/20 0.39
▸ GRIA4 P48058 1/20 0.39

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
SCHEMBL5332441 1.00 PTGS1 (0.68) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL570192 0.89 PTGS1 (0.67) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL14236615 0.89 PTGS1 (0.67) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL2017370 0.89 PTGS1 (0.67) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL420277 0.89 PTGS1 (0.67) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL18009307 0.89 PTGS1 (0.67) PTGS1GSTK1GLO1NOD1FOLH1
Oxiglutatione SCHEMBL19579378 0.88 PTGS1 (0.73) PTGS1GSTK1GLO1NOD1FOLH1
Oxiglutatione SCHEMBL4362052 0.88 PTGS1 (0.73) PTGS1GSTK1GLO1NOD1FOLH1
Oxiglutatione SCHEMBL13561367 0.88 PTGS1 (0.73) PTGS1GSTK1GLO1NOD1FOLH1
Oxiglutatione SCHEMBL16377441 0.88 PTGS1 (0.73) PTGS1GSTK1GLO1NOD1FOLH1

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-7250401-B2 Therapeutic compositions ADVANCED THERAPEUTICS AND DIAGNOSTICS, LC (US) 2007-07-31 — — US disclosed
US-20050130904-A1 Therapeutic compositions THIOPHARMA, INC. 2005-06-16 — — US disclosed
WO-2003053337-A2 THERAPEUTIC COMPOSITIONS ADVANCED THERAPEUTICS & DIAGNOSTICS, LC (US) 2003-07-03 — — 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 (1 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-20050130904-A1 Therapeutic compositions TXNRD3, GLRX3, NR2E3 PTGS1 458/4885GSTK1 192/4885GLO1 998/4885

“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.

Send feedback