SCHEMBL9986887

SCHEMBL9986887

COC(=O)c1ccccc1CNC(=O)OCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
KCNA5 P22460 7/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNA3 P22001 1/20 0.38

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
SCHEMBL16247338 0.91 KEAP1 (0.46) KEAP1NFE2L2KCNA5CA1CA2
SCHEMBL16030765 0.83 KEAP1 (0.55) KEAP1NFE2L2CA1CA2CA9
SCHEMBL14934909 0.83 KEAP1 (0.55) KEAP1NFE2L2CA1CA2CA9
SCHEMBL9986027 0.83 CA1 (0.53) KEAP1NFE2L2CA1CA2CA9
SCHEMBL9986473 0.80 KMT2A (0.47) KEAP1NFE2L2CA1CA2CA9
SCHEMBL24142282 0.78 LIPG (0.54) KEAP1NFE2L2CA1CA2CA9
SCHEMBL9985674 0.78 HTT (0.44) KEAP1NFE2L2KDM4EKMT2A
SCHEMBL25217470 0.78 L3MBTL1 (0.42) KEAP1NFE2L2KCNA5
SCHEMBL29707329 0.77 CA2 (0.52) KEAP1NFE2L2CA1CA2CA9
SCHEMBL29707332 0.77 CA2 (0.52) KEAP1NFE2L2CA1CA2CA9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889638-B2 Stimulus-triggered prodrugs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-18 US disclosed
US-8889638-B2 Stimulus-triggered prodrugs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-18 US disclosed
US-8889638-B2 Stimulus-triggered prodrugs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-18 US disclosed
US-20110312905-A1 STIMULUS-TRIGGERED PRODRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-22 US disclosed
US-20110312905-A1 STIMULUS-TRIGGERED PRODRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-22 US disclosed
US-20110312905-A1 STIMULUS-TRIGGERED PRODRUGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-22 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-20110312905-A1 STIMULUS-TRIGGERED PRODRUGS PREP, ADAM10, DNPEP KEAP1 750/4885NFE2L2 532/4885KCNA5 4546/4885

“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.