SCHEMBL5154183

SCHEMBL5154183

C=C(NC(=O)OC(C)(C)C)C1CCCCN1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
EPHX1 P07099 2/20 0.37
BTK Q06187 1/20 0.35
SCN9A Q15858 2/20 0.34
SCN3A Q9NY46 1/20 0.34
SCN5A Q14524 1/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
PRCP P42785 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32

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
SCHEMBL3610491 0.85 SCN9A (0.39) GAAEPHX1BTKSCN9ASCN3A
SCHEMBL4630085 0.85 SCN9A (0.39) GAAEPHX1BTKSCN9ASCN3A
SCHEMBL373560 0.80 PRCP (0.43) GAAEPHX1BTKSCN9ASCN3A
SCHEMBL7299117 0.80 PRCP (0.43) GAAEPHX1BTKSCN9ASCN3A
SCHEMBL28232408 0.80 PRCP (0.43) GAAEPHX1BTKSCN9ASCN3A
SCHEMBL6433488 0.76 SCN9A (0.36) GAAEPHX1SCN9ASCN3ASCN5A
SCHEMBL572824 0.76 SCN9A (0.36) GAAEPHX1SCN9ASCN3ASCN5A
SCHEMBL926731 0.76 SCN9A (0.36) GAAEPHX1SCN9ASCN3ASCN5A
SCHEMBL6872992 0.74 PRCP (0.39) GAAEPHX1BTKSCN9ASCN3A
Hydrochloric Acid SCHEMBL28945847 0.74 SCN9A (0.35) GAASCN9ASCN3ASCN5APRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070238735-A1 Cyclooxygenase-2 selective inhibitors, compositions and methods of use NITRODMED, INC. (US) 2007-10-11 US disclosed
US-7244753-B2 Cyclooxygenase-2 selective inhibitors, compositions and methods of use NITROMED, INC. (US) 2007-07-17 US disclosed
US-20040072883-A1 Cyclooxygenase-2 selective inhibitors, compositions and methods of use NITROMED, INC. 2004-04-15 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 (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-20040072883-A1 Cyclooxygenase-2 selective inhibitors, compositions and methods of use PTGS2, PTGIS, PTGES2 GAA 4226/4885EPHX1 115/4885BTK 2522/4885
US-20070238735-A1 Cyclooxygenase-2 selective inhibitors, compositions and methods of use PTGS2, PTGIS, PTGS1 GAA 4357/4885EPHX1 105/4885BTK 2849/4885

“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.