Sugi Predict

Sugi Predict / Compounds / SCHEMBL22341392

SCHEMBL22341392

SCHEMBL22341392

CCCCCCCCCCCCCCCCCC(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)NC3CSCc4ccccc4CSC[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](CCCNC(=N)N)NC(=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 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGAV P06756 4/20 0.60
▸ ITGB3 P05106 2/20 0.60
▸ ITGB5 P18084 2/20 0.60
▸ ITGB1 P05556 1/20 0.60
▸ ITGA5 P08648 1/20 0.60
▸ PLAU P00749 2/20 0.53
▸ ITGB6 P18564 2/20 0.52
▸ ITGB8 P26012 2/20 0.52
▸ KLKB1 P03952 6/20 0.52
▸ KEAP1 Q14145 2/20 0.51
▸ NFE2L2 Q16236 1/20 0.51
▸ ELANE P08246 3/20 0.48
▸ ST14 Q9Y5Y6 1/20 0.47
▸ ACE P12821 1/20 0.47
▸ ACE2 Q9BYF1 1/20 0.47

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 0.94 ITGAV (0.53) ITGAVITGB3ITGB5ITGB1ITGA5
SCHEMBL22342238 0.93 ITGAV (0.51) ITGAVITGB3ITGB5ITGB1ITGA5
SCHEMBL22342268 0.92 KEAP1 (0.54) ITGAVITGB3ITGB5ITGB1ITGA5
SCHEMBL22341443 0.92 ITGAV (0.51) ITGAVITGB3ITGB5ITGB1ITGA5
SCHEMBL22342215 0.92 ITGAV (0.51) ITGAVITGB3ITGB5ITGB1ITGA5
SCHEMBL22341394 0.92 ITGB3 (0.70) ITGAVITGB3ITGB5ITGB1ITGA5
SCHEMBL22342227 0.88 KEAP1 (0.58) ITGAVITGB3ITGB5ITGB1ITGA5
SCHEMBL22341417 0.87 ITGAV (0.53) ITGAVITGB3ITGB5ITGB1ITGA5
SCHEMBL22341412 0.86 ITGAV (0.53) ITGAVITGB3ITGB5ITGB1ITGA5
SCHEMBL22342257 0.85 ITGAV (0.59) ITGAVITGB3ITGB5ITGB1ITGA5

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 ITGAV 4854/4885ITGB3 4873/4885ITGB5 4807/4885

“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.