Sugi Predict

Sugi Predict / Compounds / SCHEMBL22342268

SCHEMBL22342268

SCHEMBL22342268

CCCCCCCCCCCCCCCCCC(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]3CSCc4ccccc4CSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]4C[C@H](F)CN4C(=O)[C@H](CC(=O)O)NC3=O)C(=O)N[C@@H](CC(C)C)C(=O)N3CCC[C@@H]3C(=O)N2C1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 16/20 0.54
▸ ITGAV P06756 4/20 0.50
▸ ITGB3 P05106 2/20 0.50
▸ ITGB5 P18084 2/20 0.50
▸ ITGB1 P05556 1/20 0.50
▸ ITGA5 P08648 1/20 0.50
▸ ITGB6 P18564 2/20 0.50
▸ ITGB8 P26012 2/20 0.50

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
SCHEMBL22341445 0.97 ITGAV (0.53) KEAP1ITGAVITGB3ITGB5ITGB1
SCHEMBL22342238 0.95 ITGAV (0.51) KEAP1ITGAVITGB3ITGB5ITGB1
SCHEMBL22342215 0.94 ITGAV (0.51) KEAP1ITGAVITGB3ITGB5ITGB1
SCHEMBL22341443 0.94 ITGAV (0.51) KEAP1ITGAVITGB3ITGB5ITGB1
SCHEMBL22342265 0.92 KEAP1 (0.62) KEAP1ITGAVITGB3ITGB5ITGB1
SCHEMBL22341392 0.92 ITGAV (0.60) KEAP1ITGAVITGB3ITGB5ITGB1
SCHEMBL22342227 0.91 KEAP1 (0.58) KEAP1ITGAVITGB3ITGB5ITGB1
SCHEMBL22341417 0.89 ITGAV (0.53) KEAP1ITGAVITGB3ITGB5ITGB1
SCHEMBL22341412 0.88 ITGAV (0.53) KEAP1ITGAVITGB3ITGB5ITGB1
SCHEMBL22342257 0.87 ITGAV (0.59) KEAP1ITGAVITGB3ITGB5ITGB1

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 1/4885ITGAV 4854/4885ITGB3 4873/4885

“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.