SCHEMBL24473700

SCHEMBL24473700

COC1=C(NCC(=O)O)CC(O)(CO)C/C1=N\CC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 2/20 0.69
▸ NFE2L2 Q16236 2/20 0.69
▸ ALDH1A1 P00352 1/20 0.32
▸ ALOX15 P16050 1/20 0.32

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
SCHEMBL31735947 1.00 KEAP1 (0.69) KEAP1NFE2L2ALDH1A1ALOX15
SCHEMBL29698419 0.89 KEAP1 (0.67) KEAP1NFE2L2
SCHEMBL19129654 0.89 KEAP1 (0.55) KEAP1NFE2L2
SCHEMBL26859860 0.86 KEAP1 (0.53) KEAP1NFE2L2
SCHEMBL29698498 0.83 KEAP1 (0.66) KEAP1NFE2L2
SCHEMBL29698435 0.83 KEAP1 (0.66) KEAP1NFE2L2
SCHEMBL24473698 0.83 KEAP1 (0.54) KEAP1NFE2L2
SCHEMBL24473695 0.82 KEAP1 (0.48) KEAP1NFE2L2
SCHEMBL19129847 0.82 KEAP1 (0.54) KEAP1NFE2L2
SCHEMBL25046238 0.82 KEAP1 (0.78) KEAP1NFE2L2

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-20220168253-A1 PRODUCTION PROMOTER OF TYPE I COLLAGEN OR ELASTIN DR'S CHOICE CO., LTD. (JP) 2022-06-02 — — 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-20220168253-A1 PRODUCTION PROMOTER OF TYPE I COLLAGEN OR ELASTIN COL14A1, COL2A1, COL1A1 KEAP1 746/4885NFE2L2 2052/4885ALDH1A1 2987/4885

“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.

Send feedback