Sugi Predict

Sugi Predict / Compounds / SCHEMBL22342178

SCHEMBL22342178

SCHEMBL22342178

CC(=O)N[C@H]1CSCc2cc3ccccc3cc2CSC[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 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 14/20 0.61
▸ PLAU P00749 1/20 0.49
▸ TSLP Q969D9 3/20 0.49
▸ KLK5 Q9Y337 1/20 0.48

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
SCHEMBL22342240 0.95 KEAP1 (0.63) KEAP1PLAUTSLP
SCHEMBL22341357 0.92 KEAP1 (0.58) KEAP1TSLP
SCHEMBL22342189 0.92 KEAP1 (0.60) KEAP1PLAUTSLP
SCHEMBL22341326 0.90 KEAP1 (0.60) KEAP1PLAUTSLPKLK5
SCHEMBL22342188 0.89 KEAP1 (0.57) KEAP1PLAUTSLP
SCHEMBL22342209 0.88 KEAP1 (0.59) KEAP1PLAUTSLP
SCHEMBL22342206 0.88 KEAP1 (0.62) KEAP1TSLP
SCHEMBL22342205 0.88 KEAP1 (0.62) KEAP1TSLP
SCHEMBL22342263 0.84 KEAP1 (0.63) KEAP1TSLP
SCHEMBL22342185 0.81 KEAP1 (0.64) 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 1/4885PLAU 3129/4885TSLP 2046/4885

“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.