SCHEMBL399201

SCHEMBL399201

O=C(O)[C@@H]1C[C@H]1CO[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 5/20 0.45
GABRR2 P28476 1/20 0.45
FFAR4 Q5NUL3 8/20 0.40
CA1 P00915 6/20 0.34
CA2 P00918 6/20 0.34
CA9 Q16790 4/20 0.34
CA12 O43570 4/20 0.34

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
SCHEMBL395001 1.00 GABRR1 (0.45) GABRR1GABRR2FFAR4CA1CA2
SCHEMBL438301 0.85 GSR (0.31) CA2
SCHEMBL438302 0.85 GSR (0.31) CA2
SCHEMBL10104051 0.85 GSR (0.31) CA2
SCHEMBL16456982 0.77 ALDH1A1 (0.40) CA2
SCHEMBL23927701 0.73 GSR (0.31) CA2
SCHEMBL23927677 0.73 GSR (0.31) CA2
SCHEMBL23927675 0.73 GSR (0.31) CA2
SCHEMBL13355318 0.71
SCHEMBL2684842 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274279-B1 NITRIC OXIDE DONATING PROSTAMIDES NICOX SA (FR) 2013-07-31 EP disclosed
US-8101658-B2 Nitric oxide donating prostamides NICOX S.A. (FR) 2012-01-24 US disclosed
US-20110092590-A1 NITRIC OXIDE DONATING PROSTAMIDES NICOX S.A. (FR) 2011-04-21 US disclosed
EP-2274279-A1 NITRIC OXIDE DONATING PROSTAMIDES Nicox S.A. (FR) 2011-01-19 EP disclosed
WO-2009136281-A1 NITRIC OXIDE DONATING PROSTAMIDES NICOX S.A. (FR) 2009-11-12 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-20110092590-A1 NITRIC OXIDE DONATING PROSTAMIDES PTGIS, PTGIR, NOS2 GABRR1 735/4885GABRR2 626/4885FFAR4 1380/4885

“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.