SCHEMBL29879820

SCHEMBL29879820

CC(=O)c1cc2c(O)c3ccccc3c(OC(=O)NCCCNCCS(=O)(=O)N(C)C)c2o1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 7/20 0.32
▸ BCHE P06276 1/20 0.32
▸ HTR5A P47898 2/20 0.31
▸ NCEH1 Q6PIU2 1/20 0.31
▸ SLC2A1 P11166 1/20 0.31

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
SCHEMBL22536768 0.94 NCEH1 (0.34) ACHEBCHEHTR5ANCEH1SLC2A1
SCHEMBL29880175 0.90 SLC2A1 (0.34) NCEH1SLC2A1
SCHEMBL22536823 0.90 SLC2A1 (0.34) NCEH1SLC2A1
SCHEMBL20644256 0.88 HTR5A (0.33) ACHEBCHEHTR5ANCEH1
SCHEMBL22536821 0.87 ACHE (0.32) ACHEBCHEHTR5ASLC2A1
SCHEMBL22536817 0.86 NCEH1 (0.34) NCEH1SLC2A1
SCHEMBL29880050 0.86 NCEH1 (0.34) NCEH1SLC2A1
SCHEMBL22536765 0.84 NCEH1 (0.36) NCEH1SLC2A1
SCHEMBL22536819 0.82 NCEH1 (0.32) ACHENCEH1
SCHEMBL22536818 0.82 NCEH1 (0.32) NCEH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220304972-A1 COMBINATION THERAPY AND BIOMARKER INDICATING EFFICACY THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-09-29 — — US disclosed
US-11414394-B2 Process for producing a hydrate of a hydrochloride salt of 2,2′-((((((2-acetylnaphtho[2,3-b]furan-4,9-diyl)bis(oxy))bis(carbonyl))bis(azanediyl))bis(ethane-2,1-diyl))bis(azanediyl))diacetic acid SUMITOMO PHARMA ONCOLOGY, INC. (US) 2022-08-16 — — 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 (2 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-11414394-B2 Process for producing a hydrate of a hydrochloride salt of 2,2′-((((((2-acetylnaphtho[2,3-b]furan-4,9-diyl)bis(oxy))bis(carbonyl))bis(azanediyl))bis(ethane-2,1-diyl))bis(azanediyl))diacetic acid ADH1A, ADH1C, DACH1 ACHE 2762/4885BCHE 2458/4885HTR5A 1417/4885
US-20220304972-A1 COMBINATION THERAPY AND BIOMARKER INDICATING EFFICACY THEREOF MSH2, PMS2, MSH6 ACHE 4869/4885BCHE 3999/4885HTR5A 3304/4885

“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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