SCHEMBL22342218

SCHEMBL22342218

CC(C)C[C@H](N)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)NCC=O)[C@H](C)O

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 11/20 0.54
▸ CALCRL Q16602 2/20 0.44
▸ RAMP3 O60896 5/20 0.42
▸ CALCR P30988 5/20 0.42
▸ CXCR4 P61073 1/20 0.41

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
SCHEMBL29391817 0.87 CAPN1 (0.44) KEAP1CALCRLRAMP3CALCR
SCHEMBL31433177 0.86 KEAP1 (0.50) KEAP1CALCRLRAMP3CALCR
SCHEMBL30335608 0.86 KEAP1 (0.49) KEAP1CALCRLRAMP3CALCR
SCHEMBL26186023 0.86 KEAP1 (0.49) KEAP1CALCRLRAMP3CALCR
SCHEMBL26186082 0.86 KEAP1 (0.49) KEAP1CALCRLRAMP3CALCR
SCHEMBL22342222 0.85 KEAP1 (0.48) KEAP1CXCR4
SCHEMBL30449622 0.82 KEAP1 (0.48) KEAP1CALCRLRAMP3CALCR
SCHEMBL24834733 0.82 KEAP1 (0.56) KEAP1
SCHEMBL15819712 0.82 KEAP1 (0.50) KEAP1RAMP3CALCR
SCHEMBL30997383 0.82 RAMP3 (0.50) KEAP1RAMP3CALCR

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-20200255478-A1 NOVEL COMPOUNDS ACTIVATING THE NRF2 PATHWAY ALMIRALL SA (ES) 2020-08-13 — — 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-20200255478-A1 NOVEL COMPOUNDS ACTIVATING THE NRF2 PATHWAY KEAP1, NFE2L2, HMOX1 KEAP1 1/4885CALCRL 1421/4885RAMP3 2539/4885

“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.

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