SCHEMBL2018951

SCHEMBL2018951

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(=O)CNC(=O)C(CS)NC(=O)CCC(N)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.54
GSTK1 Q9Y2Q3 1/20 0.54
NOD1 Q9Y239 9/20 0.49
SLC6A5 Q9Y345 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
EPHX2 P34913 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GLO1 Q04760 1/20 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
SCHEMBL11867356 0.93 PTGS1 (0.63) PTGS1GSTK1NOD1SLC6A5GLO1
Linoleic Acid SCHEMBL28319711 0.88 PTGS1 (0.66) PTGS1GSTK1NOD1SLC6A5EPHX2
Linoleic Acid SCHEMBL28965215 0.88 PTGS1 (0.66) PTGS1GSTK1NOD1SLC6A5EPHX2
SCHEMBL1356324 0.85 PTGS1 (0.51) PTGS1GSTK1NOD1GLO1
SCHEMBL2928607 0.85 PTGS1 (0.68) PTGS1GSTK1NOD1GLO1
SCHEMBL9421282 0.82 PTGS1 (0.74) PTGS1GSTK1NOD1GLO1
SCHEMBL10803638 0.81 PTGS1 (0.63) PTGS1GSTK1NOD1GLO1
SCHEMBL8774782 0.81 PTGS1 (0.63) PTGS1GSTK1NOD1GLO1
SCHEMBL9817304 0.81 PTGS1 (0.63) PTGS1GSTK1NOD1GLO1
SCHEMBL10801547 0.81 PTGS1 (0.63) PTGS1GSTK1NOD1GLO1

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
EP-2519246-A1 TOPICAL ACYL GLUTATHIONE PSORIASIS FORMULATIONS Perricone, Nicholas V. (US) 2012-11-07 EP disclosed
WO-2011081715-A1 TOPICAL ACYL GLUTATHIONE PSORIASIS FORMULATIONS PERRICONE NICHOLAS V (US) 2011-07-07 WO disclosed
US-20110160143-A1 Topical Acyl Glutathione Psoriasis Compositions N.V. PERRICONE LLC 2011-06-30 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-20110160143-A1 Topical Acyl Glutathione Psoriasis Compositions GSTA2, GSTA1, GSTM2 PTGS1 72/4885GSTK1 7/4885NOD1 2653/4885

“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.