SCHEMBL2957092

SCHEMBL2957092

COC(=O)CNC(=O)C(CSN=O)NC(=O)CCC(N)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.52
▸ GSTK1 Q9Y2Q3 1/20 0.52
▸ GLO1 Q04760 2/20 0.49
▸ NOD1 Q9Y239 10/20 0.41
▸ FOLH1 Q04609 2/20 0.37
▸ SLC1A1 P43005 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
SCHEMBL3721473 0.91 PTGS1 (0.52) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL628352 0.90 GLO1 (0.49) PTGS1GSTK1GLO1NOD1
S-Nitrosoglutathione SCHEMBL17619393 0.88 PTGS1 (0.67) PTGS1GSTK1GLO1NOD1FOLH1
S-Nitrosoglutathione SCHEMBL28090640 0.88 PTGS1 (0.67) PTGS1GSTK1GLO1NOD1FOLH1
S-Nitrosoglutathione SCHEMBL30637209 0.88 PTGS1 (0.67) PTGS1GSTK1GLO1NOD1FOLH1
S-Nitrosoglutathione SCHEMBL154575 0.88 PTGS1 (0.67) PTGS1GSTK1GLO1NOD1FOLH1
S-Nitrosoglutathione SCHEMBL1147641 0.88 PTGS1 (0.67) PTGS1GSTK1GLO1NOD1FOLH1
S-Nitrosoglutathione SCHEMBL154574 0.88 PTGS1 (0.67) PTGS1GSTK1GLO1NOD1FOLH1
SCHEMBL4250989 0.87 PTGS1 (0.47) PTGS1GSTK1GLO1NOD1FOLH1
S-Nitrosoglutathione SCHEMBL29261007 0.87 PTGS1 (0.65) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772278-B2 Nitrosated and nitrosylated prostaglandins, compositions and methods of use NITROMED, INC. (US) 2010-08-10 — — US disclosed
US-20090088366-A1 NITROSATED AND NITROSYLATED PROSTAGLANDINS, COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2009-04-02 — — US disclosed
US-7449595-B2 for treating or preventing sexual dysfunctions in males and females, for enhancing sexual responses in males and females, and for treating or preventing cerebrovascular disorders, cardiovascular disorders, benign prostatic hyperplasia (BPH), glaucoma, peptic ulcers or for inducing abortions NITROMED, INC. (US) 2008-11-11 — — US disclosed
US-20070112067-A1 Nitrosated and nitrosylated prostaglandins, compositions and methods of use NITROMED, INC. (US) 2007-05-17 — — US disclosed
US-7176238-B1 Nitrostated and nitrosylated prostaglandins, compositions and methods of use NITROMED INC. (US) 2007-02-13 — — US disclosed
WO-2000051978-A1 NITROSATED AND NITROSYLATED PROSTAGLANDINS, COMPOSITIONS AND METODS OF USE NITROMED, INC. (US) 2000-09-08 — — WO disclosed
WO-1999055317-A2 TREATMENT OF ADVANCED DECOMPENSATED HEART FAILURE WITH NITRIC OXIDE DONORS THE JOHNS HOPKINS UNIVERSITY (US) 1999-11-04 — — 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-20090088366-A1 NITROSATED AND NITROSYLATED PROSTAGLANDINS, COMPOSITIONS AND METHODS OF USE PTGIS, PGF, PTGS1 PTGS1 3/4885GSTK1 63/4885GLO1 208/4885
US-20070112067-A1 Nitrosated and nitrosylated prostaglandins, compositions and methods of use PTGIS, PGF, PTGS1 PTGS1 3/4885GSTK1 63/4885GLO1 208/4885

“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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