SCHEMBL828640

SCHEMBL828640

CC(=O)OOc1ccccc1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.56
CTNNB1 P35222 1/20 0.53
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
NR1I2 O75469 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADRA2A P08913 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
KDM4E B2RXH2 5/20 0.46
HSD17B10 Q99714 3/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46

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
SCHEMBL19137414 0.85 LMNA (0.53) IRAK4MAPTKMT2ALMNAHTT
SCHEMBL11696928 0.83 KDM4E (0.67) MAPTMEN1KMT2ALMNAHTT
SCHEMBL11010377 0.81 KDM4E (0.46) IRAK4MEN1KMT2ALMNAHTT
Ethane SCHEMBL2712758 0.81 KDM4E (0.65) MAPTMEN1KMT2ALMNAHTT
SCHEMBL7672827 0.81 IRAK4 (0.59) IRAK4CTNNB1MAPTMEN1KMT2A
SCHEMBL811872 0.81 KDM4E (0.69) IRAK4CTNNB1MAPTMEN1KMT2A
SCHEMBL10865315 0.81 KDM4E (0.69) IRAK4CTNNB1MAPTMEN1KMT2A
SCHEMBL9846404 0.80 SLC6A3 (0.56) MAPTMEN1KMT2ALMNAHTT
SCHEMBL22833915 0.79 CA1 (0.54) KMT2ALMNAHTTKDM4EHSD17B10
SCHEMBL27623412 0.79 TSHR (0.50) MAPTKMT2ALMNACYP3A4KDM4E

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 97 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662987-B2 Oxidation of 1-acyl alkyl compound under anhydrous condition XENOPORT, INC. (US) 2010-02-16 US claimed
US-20080255073-A1 COMPOUNDS FOR SUSTAINED RELEASE OF ORALLY DELIVERED DRUGS XONOPORT, INC. (US) 2008-10-16 US claimed
US-20080026077-A1 METHODS AND COMPOSITIONS OF GENE DELIVERY AGENTS FOR SYSTEMIC AND LOCAL THERAPY HILFINGER JOHN 2008-01-31 US claimed
WO-2007067779-A2 METHODS AND COMPOSITIONS FOR DRUG DELIVERY ENHANCEMENT TSRL, INC. (US) 2007-06-14 WO claimed
WO-2003099293-A1 PHARMACOLOGICALLY ACTIVE SALTS DANMARKS FARMACEUTISKE UNIVERSITET (DK) 2003-12-04 WO claimed
US-20240261139-A1 METHODS AND COMPOSITIONS FOR IONTOPHORETIC DRUG DELIVERY TO THE EYE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2024-08-08 US disclosed
US-11998481-B2 Methods and compositions for iontophoretic drug delivery to the eye UNIVERSITY OF FLORIDA RESEARCH FOUNDATION INC. (US) 2024-06-04 US disclosed
US-20210121325-A1 METHODS AND COMPOSITIONS FOR IONTOPHORETIC DRUG DELIVERY TO THE EYE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2021-04-29 US disclosed
US-20180353613-A1 ANIONIC NANOPARTICLES FOR USE IN THE DELIVERY OF ANIONIC SMALL MOLECULE DRUGS B.G. NEGEV TECHNOLOGIES AND APPLICATIONS LTD. (IL) 2018-12-13 US disclosed
EP-3291838-A1 ANIONIC NANOPARTICLES FOR USE IN THE DELIVERY OF ANIONIC SMALL MOLECULE DRUGS B.G. Negev Technologies and Applications Ltd. (IL) 2018-03-14 EP disclosed
WO-2016178224-A1 ANIONIC NANOPARTICLES FOR USE IN THE DELIVERY OF ANIONIC SMALL MOLECULE DRUGS B. G. NEGEV TECHNOLOGIES AND APPLICATIONS LTD (IL) 2016-11-10 WO disclosed
US-8642644-B2 Ophthamological drugs DUKE UNIVERSITY (US) 2014-02-04 US disclosed
WO-1999041275-A1 PRODRUGS MEDIVIR AB (SE) 1999-08-19 WO disclosed
EP-0331471-B1 HIGH MOLECULAR WEIGHT PRODRUG DERIVATIVES OF ANTIINFLAMMATORY DRUGS Larsen, Claus Selch (DK) 1992-12-16 EP disclosed
US-5073641-A PRODRUG DERIVATIVES OF CARBOXYLIC ACID DRUGS BUNDGAARD HANS (DK) 1991-12-17 US disclosed
EP-0331471-A1 High molecular weight prodrug derivatives of antiinflammatory drugs Larsen, Claus Selch (DK) 1989-09-06 EP disclosed
EP-0278977-A1 PRODRUG DERIVATIVES OF CARBOXYLIC ACID DRUGS. BUNDGAARD HANS (DK) 1988-08-24 EP disclosed
WO-1988001615-A1 PRODRUG DERIVATIVES OF CARBOXYLIC ACID DRUGS BUNDGAARD HANS (DK) 1988-03-10 WO disclosed
US-4381307-A Soft tertiary amine esters of bio-affecting carboxylic acids MERCK & CO., INC. (US) 1983-04-26 US disclosed
EP-0051278-A1 Soft tertiary amine esters of bio-affecting carboxylic acids, processes for preparing and a pharmaceutical composition containing the same MERCK & CO. INC. (US) 1982-05-12 EP 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-20080255073-A1 COMPOUNDS FOR SUSTAINED RELEASE OF ORALLY DELIVERED DRUGS ABCB11, ABCB1, SLC10A1 IRAK4 3788/4885CTNNB1 4723/4885MAPT 3437/4885

“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.