Sugi Predict

Sugi Predict / Compounds / SCHEMBL22772346

SCHEMBL22772346

SCHEMBL22772346

CC(=O)c1cc2c(N(CCN)C(=O)O)c3ccccc3c(N(CCN)C(=O)O)c2o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ MAPT P10636 4/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ HSD17B10 Q99714 4/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ LMNA P02545 2/20 0.33
▸ CARM1 Q86X55 1/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ PRMT8 Q9NR22 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ PDE4A P27815 3/20 0.33
▸ PDE4B Q07343 3/20 0.33
▸ PDE4C Q08493 3/20 0.33
▸ PDE4D Q08499 3/20 0.33

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
SCHEMBL18116077 0.80 KDM4E (0.33) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL18116050 0.80 LMNA (0.32) KDM4EL3MBTL1LMNAPDE4APDE4B
Hydrochloric Acid SCHEMBL22157868 0.77 GAA (0.37) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL20851793 0.64 LMNA (0.43) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL14656256 0.64 KDM4E (0.50) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL4065773 0.63 PAX8 (0.48) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL18123765 0.62 NCEH1 (0.37) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL10460057 0.61 ADRA2C (0.53) ALDH1A1MEN1KMT2AL3MBTL1NPC1
SCHEMBL18123775 0.61 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL29488 0.61 LMNA (0.50) ALDH1A1KDM4EMAPTMEN1KMT2A

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-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
US-20200392098-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER BOSTON BIOMEDICAL, INC. (US) 2020-12-17 — — 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 ALDH1A1 180/4885KDM4E 3573/4885MAPT 1047/4885
US-20200392098-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER NR0B1, NR0B2, NR2C2 ALDH1A1 716/4885KDM4E 3479/4885MAPT 4840/4885

“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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