SCHEMBL16558576

SCHEMBL16558576

CCC(C)(C)C(=O)NCOP(=O)(O)OC[15N+]([13CH3])([13CH3])[13CH3]

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 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
SCHEMBL16558578 0.76 BTN3A1 (0.33)
SCHEMBL26556407 0.74 BBOX1 (0.37)
SCHEMBL12936165 0.74 SAT1 (0.35)
SCHEMBL100398 0.70 TSHR (0.40)
SCHEMBL10029196 0.69
SCHEMBL12404486 0.69 RIPK1 (0.46) RIPK1
SCHEMBL13568036 0.68 RIPK1 (0.44) RIPK1
SCHEMBL12716923 0.67 LPAR2 (0.46) RIPK1
SCHEMBL14154095 0.66 RIPK1 (0.43) RIPK1
SCHEMBL11966759 0.66 TSHR (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150071861-A1 POLYMER, CONTRAST AGENT FOR NUCLEAR MAGNETIC RESONANCE ANALYSIS OR MAGNETIC RESONANCE IMAGING USING THE POLYMER, COMPOUND AND METHOD OF NUCLEAR MAGNETIC RESONANCE ANALYSIS AND METHOD OF MAGNETIC RESONANCE IMAGING USING THE POLYMER CANON KABUSHIKI KAISHA (JP) 2015-03-12 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-20150071861-A1 POLYMER, CONTRAST AGENT FOR NUCLEAR MAGNETIC RESONANCE ANALYSIS OR MAGNETIC RESONANCE IMAGING USING THE POLYMER, COMPOUND AND METHOD OF NUCLEAR MAGNETIC RESONANCE ANALYSIS AND METHOD OF MAGNETIC RESONANCE IMAGING USING THE POLYMER PHOSPHO1, NPPA, NMRAL1 RIPK1 3384/4885

“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.