SCHEMBL22342180

SCHEMBL22342180

CC(=O)N[C@H]1Cc2cccc(c2)SC[C@@H](C(N)=O)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](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC1=O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 16/20 0.62
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
TSLP Q969D9 1/20 0.45
PLAU P00749 1/20 0.42

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
SCHEMBL22342185 0.92 KEAP1 (0.64) KEAP1ITGB3ITGA2BTSLP
SCHEMBL22342263 0.87 KEAP1 (0.63) KEAP1ITGB3ITGA2BTSLP
SCHEMBL22342385 0.84 KEAP1 (0.60) KEAP1TSLP
SCHEMBL22342240 0.83 KEAP1 (0.63) KEAP1TSLPPLAU
SCHEMBL22342178 0.82 KEAP1 (0.61) KEAP1TSLPPLAU
SCHEMBL22341359 0.81 KEAP1 (0.61) KEAP1ITGB3
SCHEMBL22342209 0.81 KEAP1 (0.59) KEAP1ITGB3ITGA2BTSLPPLAU
SCHEMBL22341326 0.80 KEAP1 (0.60) KEAP1TSLPPLAU
SCHEMBL22342189 0.80 KEAP1 (0.60) KEAP1TSLPPLAU
SCHEMBL22341357 0.78 KEAP1 (0.58) KEAP1TSLP

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 1/4885ITGB3 4873/4885ITGA2B 4861/4885

“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.