SCHEMBL1626511

SCHEMBL1626511

CC(C)(C)OC(=O)N(CCC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.44
SYK P43405 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40

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
SCHEMBL31170532 0.92 L3MBTL1 (0.49) L3MBTL1ALDH1A1MAPK1LMNASYK
SCHEMBL28956076 0.88 L3MBTL1 (0.47) L3MBTL1ALDH1A1MAPK1LMNASYK
SCHEMBL3737616 0.87 L3MBTL1 (0.43) L3MBTL1ALDH1A1MAPK1LMNASYK
SCHEMBL20089220 0.86 L3MBTL1 (0.46) L3MBTL1ALDH1A1MAPK1LMNASYK
SCHEMBL29077734 0.86 L3MBTL1 (0.50) L3MBTL1ALDH1A1MAPK1SYKSMN1; SMN2
SCHEMBL3737611 0.85 HDAC3 (0.46) L3MBTL1ALDH1A1MAPK1LMNASYK
SCHEMBL9787659 0.83 POLB (0.45) TDP1
SCHEMBL25211503 0.83 L3MBTL1 (0.48) L3MBTL1ALDH1A1MAPK1LMNASYK
SCHEMBL10308981 0.82 L3MBTL1 (0.47) L3MBTL1ALDH1A1MAPK1SYKSMN1; SMN2
SCHEMBL7332893 0.82 ALDH1A1 (0.56) L3MBTL1ALDH1A1MAPK1LMNASYK

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 27 patents — showing the first 20. 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
CN-107660202-B Water-soluble prodrugs 大日本住友制药肿瘤公司 2021-12-24 CN 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
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
US-10800752-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer BOSTON BIOMEDICAL, INC. (US) 2020-10-13 US disclosed
US-10800752-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer BOSTON BIOMEDICAL, INC. (US) 2020-10-13 US disclosed
US-20190084955-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER BOSTON BIOMEDICAL, INC. (US) 2019-03-21 US disclosed
US-20190084955-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER BOSTON BIOMEDICAL, INC. (US) 2019-03-21 US disclosed
US-10183925-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer BOSTON BIOMEDICAL, INC. (US) 2019-01-22 US disclosed
US-10183925-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer BOSTON BIOMEDICAL, INC. (US) 2019-01-22 US disclosed
EP-1420681-A4 PEPTIDE-BASED MULTIMERIC TARGETED CONTRAST AGENTS EPIX PHARM INC (US) 2009-08-05 EP disclosed
US-20070185311-A1 Peptide-Based Multimeric Targeted Contrast Agents EPIX PHARMACEUTICALS, INC. (US) 2007-08-09 US disclosed
US-7238341-B2 Peptide-based multimeric targeted contrast agents EPIX PHARMACEUTICALS, INC. (US) 2007-07-03 US disclosed
US-20060039861-A1 Peptide-based multimeric targeted contrast agents EPIX MEDICAL, INC., A DELAWARE CORPORATION 2006-02-23 US disclosed
US-6991775-B2 Peptide-based multimeric targeted contrast agents EPIX MEDICAL, INC. (US) 2006-01-31 US disclosed
US-20050074411-A1 Peptide-based multimeric targeted contrast agents EPIX MEDICAL, INC. A DELAWARE CORPORATION 2005-04-07 US disclosed
EP-1420681-A2 PEPTIDE-BASED MULTIMERIC TARGETED CONTRAST AGENTS Epix Medical, Inc. (US) 2004-05-26 EP disclosed
US-20030216320-A1 Peptide-based multimeric targeted contrast agents Factor 1A, LLC 2003-11-20 US disclosed
US-20030180222-A1 Peptide-based multimeric targeted contrast agents EPIX PHARMACEUTICALS, INC. 2003-09-25 US disclosed
WO-2003011115-A2 PEPTIDE-BASED MULTIMERIC TARGETED CONTRAST AGENTS EPIX MEDICAL, INC. (US) 2003-02-13 WO 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 (10 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-20030180222-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA L3MBTL1 1784/4885ALDH1A1 4848/4885MAPK1 2622/4885
US-20060039861-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA L3MBTL1 1784/4885ALDH1A1 4848/4885MAPK1 2622/4885
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 L3MBTL1 4872/4885ALDH1A1 180/4885MAPK1 1581/4885
US-20200392098-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER NR0B1, NR0B2, NR2C2 L3MBTL1 1060/4885ALDH1A1 716/4885MAPK1 3329/4885
US-20190084955-A1 SUBSTITUTED NAPHTHO[2,3-b]FURANS AS WATER-SOLUBLE PRODRUGS FOR PREVENTING AND/OR TREATING CANCER NR0B1, NR0B2, NR2C2 L3MBTL1 1060/4885ALDH1A1 716/4885MAPK1 3329/4885
US-20070185311-A1 Peptide-Based Multimeric Targeted Contrast Agents NGLY1, IAPP, NPPA L3MBTL1 1784/4885ALDH1A1 4848/4885MAPK1 2622/4885
US-20050074411-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA L3MBTL1 1784/4885ALDH1A1 4848/4885MAPK1 2622/4885
US-10800752-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 L3MBTL1 1060/4885ALDH1A1 716/4885MAPK1 3329/4885
US-20030216320-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA L3MBTL1 1784/4885ALDH1A1 4848/4885MAPK1 2622/4885
US-10183925-B2 Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer NR0B1, NR0B2, NR2C2 L3MBTL1 1060/4885ALDH1A1 716/4885MAPK1 3329/4885

“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.