SCHEMBL4587980

SCHEMBL4587980

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nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.37
SLC1A1 P43005 2/20 0.33
CYP1A2 P05177 2/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GSR P00390 1/20 0.33
GRIK1 P39086 1/20 0.33
GRM5 P41594 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
GRIA4 P48058 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIK2 Q13002 1/20 0.33
GRIK3 Q13003 1/20 0.33

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
SCHEMBL4587179 0.91 PTGS2 (0.37) PTGS2SLC1A1CYP1A2GRM8GRM6
SCHEMBL4588775 0.84 SLC1A1 (0.34) SLC1A1CYP1A2GRM8GRM6GRIN2D
SCHEMBL14573957 0.84 PTGS2 (0.42) PTGS2SLC1A1CYP1A2GRM8GRM6
SCHEMBL5151041 0.84 PTGS2 (0.42) PTGS2SLC1A1CYP1A2GRM8GRM6
SCHEMBL5183569 0.84 PTGS2 (0.42) PTGS2SLC1A1CYP1A2GRM8GRM6
SCHEMBL5154144 0.83 SLC1A1 (0.42) PTGS2SLC1A1CYP1A2GRM8GRM6
SCHEMBL4585809 0.79 PTGS2 (0.48) PTGS2PTGS1ALDH1A1
SCHEMBL4588679 0.78 PTGS1 (0.38) PTGS2PTGS1
SCHEMBL4603770 0.78 PTGS2 (0.41) PTGS2CYP1A2PTGS1ALDH1A1LMNA
SCHEMBL4588920 0.78 SLC1A1 (0.34) SLC1A1CYP1A2GRM8GRM6GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287407-A1 Nitric Oxide Releasing Pyruvate Compounds, Compositions and Methods of Use NITROMED, INC. (US) 2008-11-20 US claimed
US-20080287407-A1 Nitric Oxide Releasing Pyruvate Compounds, Compositions and Methods of Use NITROMED, INC. (US) 2008-11-20 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-20080287407-A1 Nitric Oxide Releasing Pyruvate Compounds, Compositions and Methods of Use PC, PDK1, NOS3 PTGS2 177/4885SLC1A1 739/4885CYP1A2 2815/4885

“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.