SCHEMBL4150136

SCHEMBL4150136

CC(C)(C(=O)O)C1CCC[N]C1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL6255794 0.77 KEAP1 (0.41) KEAP1NFE2L2
SCHEMBL1547705 0.74
SCHEMBL1876976 0.74 EPHX1 (0.39) KEAP1NFE2L2
SCHEMBL28727636 0.73 EPHX1 (0.38) KEAP1NFE2L2
SCHEMBL9827947 0.71
SCHEMBL294826 0.71 SMN1; SMN2 (0.32)
SCHEMBL18884798 0.69 CES2 (0.38) KEAP1NFE2L2
SCHEMBL16592120 0.68 TSHR (0.42) KEAP1NFE2L2
SCHEMBL15507343 0.68 KEAP1 (0.39) KEAP1NFE2L2
SCHEMBL4728809 0.68 KEAP1 (0.41) KEAP1NFE2L2

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-20090036469-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTED AMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2009-02-05 US claimed
US-20090036469-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTED AMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2009-02-05 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-20090036469-A1 2,6-SUBSTITUTED-4-MONOSUBSTITUTED AMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGDR2, PTGDR, PTGER2 KEAP1 2006/4885NFE2L2 434/4885

“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.