SCHEMBL472903

SCHEMBL472903

CCCCCN(O)[C@H](CCCN)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.40
GRIK1 P39086 2/20 0.40
GRIK2 Q13002 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
SLC6A5 Q9Y345 1/20 0.38
GPR84 Q9NQS5 3/20 0.38
FFAR1 O14842 1/20 0.38
SLC1A3 P43003 1/20 0.38
MAPT P10636 1/20 0.37
CPB2 Q96IY4 1/20 0.37
LCK P06239 1/20 0.37
PPARD Q03181 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
GSR P00390 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL9289262 1.00 NOD1 (0.40) NOD1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL11305652 0.83 GRIK1 (0.40) NOD1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL19859237 0.81 NOD1 (0.47) NOD1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL9634474 0.80 NOD1 (0.49) NOD1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL9634471 0.80 NOD1 (0.49) NOD1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL8934208 0.79 GPR84 (0.38) NOD1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL8934205 0.79 GPR84 (0.38) NOD1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL341674 0.79 NOD1 (0.51) NOD1GRIK1GRIK2SLC1A2SLC1A1
SCHEMBL11308884 0.79 GRIK1 (0.42) GRIK1GRIK2SLC1A2SLC1A1SLC6A5
SCHEMBL1031164 0.79 NOD1 (0.51) NOD1GRIK1GRIK2SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11779634-B2 Fungal iron acquisition inhibitors and uses thereof CASE WESTERN RESERVE UNIVERSITY (US) 2023-10-10 US disclosed
US-20220211820-A1 FUNGAL IRON ACQUISITION INHIBITORS AND USES THEREOF UNIV CASE WESTERN RESERVE (US) 2022-07-07 US disclosed
US-11229685-B2 Fungal iron acquisition inhibitors and uses thereof CASE WESTERN RESERVE UNIVERSITY (US) 2022-01-25 US disclosed
US-10548860-B2 HIF-1 modulator paint formulation and uses thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-02-04 US disclosed
US-20190192452-A1 HIF-1 MODULATOR PAINT FORMULATION AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY 2019-06-27 US disclosed
US-10220009-B2 HIF-1 modulator paint formulation and uses thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-03-05 US disclosed
US-9763899-B2 Iron chelators and use thereof for reducing transplant failure during rejection episodes THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-09-19 US disclosed
US-20170252310-A9 Iron Chelators and Use Thereof for Reducing Transplant Failure During Rejection Episodes NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-09-07 US disclosed
US-9603839-B2 Thioredoxin protein inhibitors and uses thereof CASE WESTERN RESERVE UNIVERSITY (US) 2017-03-28 US disclosed
US-20160184244-A1 Iron Chelators and Use Thereof for Reducing Transplant Failure During Rejection Episodes UNIV LELAND STANFORD JUNIOR (US) 2016-06-30 US disclosed
WO-2014120774-A1 FUNGAL IRON ACQUISITION INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY (US) 2014-08-07 WO disclosed
WO-2014100233-A1 IRON CHELATORS AND USE THEREOF FOR REDUCING TRANSPLANT FAILURE DURING REJECTION EPISODES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-06-26 WO disclosed
WO-2014036414-A2 IRON CHELATORS AND USE THEREOF FOR REDUCING TRANSPLANT FAILURE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2014-03-06 WO disclosed
WO-2013158892-A1 THIOREDOXIN PROTEIN INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY (US) 2013-10-24 WO disclosed
EP-2412371-A1 Compositions comprising iron chelators (deferiprone/deferasirox) for use in the treatment of mucormycosis and other fungal diseases Los Angeles Biomedical Research Institute at Harbor-UCLA Medical Center (US) 2012-02-01 EP disclosed
US-20110003013-A1 METHOD OF INCREASING METABOLISM GARVAN INSTITUTE OF MEDICAL RESEARCH 2011-01-06 US disclosed
US-20100129434-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MUCORMYCOSIS AND OTHER FUNGAL DISEASES LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2010-05-27 US disclosed
WO-2009086592-A1 METHOD OF INCREASING METABOLISM GARVAN INSTITUTE OF MEDICAL RESEARCH (AU) 2009-07-16 WO disclosed
EP-2043636-A2 (COMBI) COMPOSITIONS FOR THE TREATMENT OF MUCORMYCOSIS COMPRISING IRON CHELATOR AND ANTIFUNGAL AGENT Los Angeles Biomedical Research Institute at Harbor-UCLA Medical Center (US) 2009-04-08 EP disclosed
WO-2008008537-A2 COMBI) COMPOSITIONS FOR THE TREATMENT OF MUCORMYCOSIS. COMPRISING IRON CHELATOR AND ANTIFUNGAL AGENT LOS ANGELES BIOMEDICAL RESEARCH INSTITUTE AT HARBOR-UCLA MEDICAL CENTER (US) 2008-01-17 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 (4 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-20110003013-A1 METHOD OF INCREASING METABOLISM HIF1A, HIF1AN, PC NOD1 2758/4885GRIK1 2433/4885GRIK2 2243/4885
US-11229685-B2 Fungal iron acquisition inhibitors and uses thereof SLC40A1, SLC30A6, SLC30A7 NOD1 1891/4885GRIK1 3526/4885GRIK2 3268/4885
US-20220211820-A1 FUNGAL IRON ACQUISITION INHIBITORS AND USES THEREOF SLC40A1, SLC30A6, SLC30A7 NOD1 1891/4885GRIK1 3526/4885GRIK2 3268/4885
US-11779634-B2 Fungal iron acquisition inhibitors and uses thereof SLC40A1, SLC30A6, SLC30A7 NOD1 1891/4885GRIK1 3526/4885GRIK2 3268/4885

“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.