SCHEMBL29880175

SCHEMBL29880175

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

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 4/20 0.34
▸ NCEH1 Q6PIU2 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL22536823 1.00 SLC2A1 (0.34) SLC2A1NCEH1KDM4EMAPTRECQL
SCHEMBL22536765 0.94 NCEH1 (0.36) SLC2A1NCEH1KDM4EMAPTRECQL
SCHEMBL29879820 0.90 ACHE (0.32) SLC2A1NCEH1
SCHEMBL22536817 0.88 NCEH1 (0.34) SLC2A1NCEH1KDM4EMAPTRECQL
SCHEMBL29880050 0.88 NCEH1 (0.34) SLC2A1NCEH1KDM4EMAPTRECQL
SCHEMBL22536766 0.88 NCEH1 (0.33) SLC2A1NCEH1KDM4EMAPTRECQL
SCHEMBL29880244 0.85 NCEH1 (0.32) NCEH1KDM4EMAPTRECQLKMT2A
SCHEMBL22536819 0.85 NCEH1 (0.32) NCEH1KDM4EMAPTRECQLKMT2A
SCHEMBL22536818 0.85 NCEH1 (0.32) NCEH1KDM4EMAPTRECQLKMT2A
SCHEMBL29880441 0.85 NCEH1 (0.32) NCEH1KDM4EMAPTRECQLKMT2A

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 SLC2A1 1599/4885NCEH1 1312/4885KDM4E 3573/4885
US-20220304972-A1 COMBINATION THERAPY AND BIOMARKER INDICATING EFFICACY THEREOF MSH2, PMS2, MSH6 SLC2A1 4459/4885NCEH1 2379/4885KDM4E 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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