SCHEMBL18109928

SCHEMBL18109928

CC(C)(C)OC(=O)Nc1ccc(OCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1NC(=O)OC(C)(C)C.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 8/20 0.40
▸ CNR2 P34972 1/20 0.38
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ TRAP1 Q12931 1/20 0.35

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
Iodide SCHEMBL16742380 0.93 CHRNA7 (0.46) CHRNA7CNR2CA12CA1CA2
SCHEMBL18109934 0.75 PLK1 (0.50) CNR2
SCHEMBL18109931 0.75 CA12 (0.42) CA12CA1CA2CA9ITGB3
SCHEMBL18109936 0.73 CA12 (0.50) CA12CA1CA2CA9ITGB3
SCHEMBL21799295 0.73 CA12 (0.47) CA12CA1CA2CA9
Bromide SCHEMBL14742725 0.69 MEN1 (0.57) CA12CA1CA2CA9
Bromide SCHEMBL14743114 0.66 MEN1 (0.64) CA12CA1CA2CA9
SCHEMBL7068930 0.66 AAK1 (0.42) CA12CA1CA2CA9ITGB3
SCHEMBL15888157 0.66 MEN1 (0.47) CNR2CA12CA1CA2CA9
SCHEMBL28777586 0.66 FFAR4 (0.50) CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3071582-B1 MITOCHONDRIA-TARGETED DICARBONYL SEQUESTERING COMPOUNDS RES & INNOVATION UK (GB) 2020-04-29 — — EP disclosed
EP-3623375-A1 MITOCHONDRIA-TARGETED DICARBONYL SEQUESTERING COMPOUNDS United Kingdom Research and Innovation (GB) 2020-03-18 — — EP disclosed
US-9963474-B2 Mitochondria-targeted dicarbonyl sequestering compounds MEDICAL RESEARCH COUNCIL (GB) 2018-05-08 — — US disclosed
US-20160289252-A1 MITOCHONDRIA-TARGETED DICARBONYL SEQUESTERING COMPOUNDS UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2016-10-06 — — 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-20160289252-A1 MITOCHONDRIA-TARGETED DICARBONYL SEQUESTERING COMPOUNDS NDUFAB1, HADHB, SLC25A21 CHRNA7 4852/4885CNR2 3237/4885CA12 3429/4885

“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.

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