SCHEMBL457556

SCHEMBL457556

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.40
PTGS1 P23219 1/20 0.39
SLC7A11 Q9UPY5 1/20 0.39
NOS3 P29474 2/20 0.38
NOS2 P35228 2/20 0.38
GRIA1 P42261 2/20 0.37
GRIA2 P42262 2/20 0.37
GRIA4 P48058 2/20 0.37
GRIK5 Q16478 2/20 0.37
SLC7A5 Q01650 1/20 0.37
GRM8 O00222 1/20 0.37
GRM6 O15303 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GSR P00390 1/20 0.37
CYP1A2 P05177 1/20 0.37
GRIK1 P39086 1/20 0.37
GRM5 P41594 1/20 0.37
GRIA3 P42263 1/20 0.37
SLC1A3 P43003 1/20 0.37

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
SCHEMBL457557 1.00 NOS1 (0.40) NOS1PTGS1SLC7A11NOS3NOS2
Ammonia Solution, Strong SCHEMBL7568632 0.98 NOS1 (0.39) NOS1PTGS1SLC7A11NOS3NOS2
Nitric Acid SCHEMBL27650216 0.96 NOS1 (0.38) NOS1PTGS1SLC7A11NOS3NOS2
SCHEMBL456815 0.79 NOS1 (0.45) NOS1NOS3NOS2GRIA1GRIA2
Nitric Acid SCHEMBL457952 0.76 NOS1 (0.42) NOS1NOS3NOS2GRIA1GRIA2
Nitric Acid SCHEMBL457953 0.76 NOS1 (0.42) NOS1NOS3NOS2GRIA1GRIA2
SCHEMBL13397063 0.76 CA12 (0.41) NOS1NOS3NOS2SLC1A5
SCHEMBL13396930 0.76 CA12 (0.38) NOS1NOS3NOS2SLC1A5
SCHEMBL5154144 0.76 SLC1A1 (0.42) NOS1NOS3NOS2GRIA1GRIA2
SCHEMBL13397064 0.75 NOS1 (0.37) NOS1PTGS1NOS3NOS2SLC1A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4504956-A1 MODIFIED SOPHOROLIPID FOR IMPROVED BIOAVAILABILITY OF AMINO ACIDS AND METHOD OF USE Locus Solutions IPCO, LLC (US) 2025-02-12 EP disclosed
WO-2023196890-A1 MODIFIED SOPHOROLIPID FOR IMPROVED BIOAVAILABILITY OF AMINO ACIDS AND METHOD OF USE LOCUS SOLUTIONS IPCO, LLC (US) 2023-10-12 WO disclosed
EP-2614050-B1 1,5-DIARYL-2-ALKYLPYRROLE-3-SUBSTITUTED NITRO ESTERS, SELECTIVE COX-2 INHIBITORS AND NITRIC OXIDE DONORS Rottapharm Biotech Srl (IT) 2016-01-20 EP disclosed
US-9162979-B2 1,5-Diary1-2-alkylpyrrole-3-substituted nitro esters, selective COX-2 inhibitors and nitric oxide donors ROTTAPHARM BIOTECH S.R.L. (IT) 2015-10-20 US disclosed
EP-2614050-A1 1,5-DIARYL-2-ALKYLPYRROLE-3-SUBSTITUTED NITRO ESTERS, SELECTIVE COX-2 INHIBITORS AND NITRIC OXIDE DONORS Rottapharm S.p.A. (IT) 2013-07-17 EP disclosed
US-20130165494-A1 1,5-Diaryl-2-alkylpyrrole-3-Substituted Nitro Esters, Selective COX-2 Inhibitors and Nitric Oxide Donors ROTTAPHARM S.P.A. (IT) 2013-06-27 US disclosed
WO-2012032479-A1 L,5-DIARYL-2-ALKVLPVRROLE-3-SUBSTITUTED NITRO ESTERS, SELECTIVE COX-2 INHIBITORS AND NITRIC OXIDE DONORS ROTTAPHARM S.P.A. (IT) 2012-03-15 WO disclosed
CN-100513415-C Bile acid derivative and pharmaceutical use thereof INST PHARM & TOXICOLOGY AMMS (CN) 2009-07-15 CN disclosed
CN-1908001-A Bile acid derivative and pharmaceutical use thereof POISON MED INST PLA MED ACAD (CN) 2007-02-07 CN 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-20130165494-A1 1,5-Diaryl-2-alkylpyrrole-3-Substituted Nitro Esters, Selective COX-2 Inhibitors and Nitric Oxide Donors NOS3, PTGER3, PTGES3 NOS1 14/4885PTGS1 12/4885SLC7A11 3107/4885

“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.