SCHEMBL17433875

SCHEMBL17433875

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.70
GSTK1 Q9Y2Q3 1/20 0.70
GLO1 Q04760 4/20 0.61
NOD1 Q9Y239 5/20 0.43
FOLH1 Q04609 2/20 0.41
GRM8 O00222 1/20 0.40
GRM6 O15303 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GSR P00390 1/20 0.40
CYP1A2 P05177 1/20 0.40
GRIK1 P39086 1/20 0.40
GRM5 P41594 1/20 0.40
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
GRIA4 P48058 1/20 0.40

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
SCHEMBL29449890 1.00 PTGS1 (0.70) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL346450 0.92 PTGS1 (0.70) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL21067395 0.92 PTGS1 (0.70) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL346451 0.92 PTGS1 (0.70) PTGS1GSTK1GLO1NOD1FOLH1
Glutathione SCHEMBL722500 0.91 PTGS1 (0.85) PTGS1GSTK1GLO1NOD1FOLH1
Glutathione SCHEMBL724436 0.91 PTGS1 (0.85) PTGS1GSTK1GLO1NOD1FOLH1
Glutathione SCHEMBL722499 0.91 PTGS1 (0.85) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL7081151 0.91 PTGS1 (0.68) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL7081152 0.91 PTGS1 (0.68) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL4158582 0.91 PTGS1 (0.68) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2975046-A1 Novel compounds The Provost, Fellows, Foundation Scholars, and The Other Members of Board, of The College of The Holy and Undivided Trinity of Queen Elizabeth (IE) 2016-01-20 EP claimed
US-20170210778-A1 NOVEL COMPOUNDS INVIVOGEN SAS (FR) 2017-07-27 US disclosed
WO-2016008946-A1 NOVEL COMPOUNDS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2016-01-21 WO disclosed
EP-2975046-A1 Novel compounds The Provost, Fellows, Foundation Scholars, and The Other Members of Board, of The College of The Holy and Undivided Trinity of Queen Elizabeth (IE) 2016-01-20 EP 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-20170210778-A1 NOVEL COMPOUNDS F12, C1R, F11 PTGS1 2429/4885GSTK1 4871/4885GLO1 4841/4885

“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.