SCHEMBL19293569

SCHEMBL19293569

N[C@@H](CCC(=O)N[C@@H](CCSC(=O)c1ccccc1)C(=O)NCC(=O)O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.58
▸ GSTK1 Q9Y2Q3 1/20 0.58
▸ GLO1 Q04760 4/20 0.54
▸ LTA4H P09960 3/20 0.41
▸ NOD1 Q9Y239 2/20 0.37
▸ FNTA P49354 1/20 0.36
▸ FNTB P49356 1/20 0.36
▸ PGGT1B P53609 1/20 0.36

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
SCHEMBL9007849 0.90 PTGS1 (0.59) PTGS1GSTK1GLO1LTA4HNOD1
SCHEMBL19293445 0.82 PTGS1 (0.65) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL5426912 0.79 PTGS1 (0.56) PTGS1GSTK1GLO1LTA4H
SCHEMBL11874925 0.79 PTGS1 (0.58) PTGS1GSTK1GLO1LTA4H
SCHEMBL11874912 0.79 PTGS1 (0.58) PTGS1GSTK1GLO1LTA4H
SCHEMBL19293446 0.78 PTGS1 (0.67) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL19544325 0.78 PTGS1 (0.67) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL9007876 0.78 GLO1 (0.46) PTGS1GSTK1GLO1LTA4HNOD1
SCHEMBL12182043 0.78 PTGS1 (0.52) PTGS1GSTK1GLO1NOD1FNTA
SCHEMBL4230298 0.78 PTGS1 (0.57) PTGS1GSTK1GLO1LTA4HNOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170246148-A1 Methods and Compositions for Treating Psychotic Disorders SOUND PHARMACEUTICALS INCORPORATED 2017-08-31 — — 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 (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-20170246148-A1 Methods and Compositions for Treating Psychotic Disorders GPX4, GPX1, GSR PTGS1 235/4885GSTK1 14/4885GLO1 182/4885

“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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