SCHEMBL2439178

SCHEMBL2439178

O=C(OCC(O)CO)C(Cl)Cl

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
KDM4E B2RXH2 1/20 0.44
DUSP3 P51452 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DGKA P23743 1/20 0.38
ALDH1A1 P00352 1/20 0.36
FAAH O00519 2/20 0.36
USP2 O75604 1/20 0.32
THRB P10828 1/20 0.31
CYP1A2 P05177 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL29355928 1.00 LMNA (0.44) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL2470514 0.87 CYP1A2 (0.36) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL1933179 0.80 LMNA (0.47) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL6841476 0.78
SCHEMBL28496592 0.78 LMNA (0.46) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL18431433 0.77 CYP1A2 (0.32) CYP1A2
SCHEMBL18431431 0.77 CYP1A2 (0.32) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL2904704 0.77 LMNA (0.48) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL4365179 0.77 LMNA (0.48) LMNAKDM4EDUSP3MEN1KMT2A
SCHEMBL44490 0.77 LMNA (0.48) LMNAKDM4EDUSP3MEN1KMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220142948-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC REGULATORS OF T CELL PATHOGENICITY MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2022-05-12 US claimed
EP-3942023-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC REGULATORS OF T CELL PATHOGENICITY The Broad Institute, Inc. (US) 2022-01-26 EP claimed
WO-2020191079-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC REGULATORS OF T CELL PATHOGENICITY THE BROAD INSTITUTE, INC. (US) 2020-09-24 WO claimed
US-20220142948-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC REGULATORS OF T CELL PATHOGENICITY MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2022-05-12 US disclosed
EP-3942023-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC REGULATORS OF T CELL PATHOGENICITY The Broad Institute, Inc. (US) 2022-01-26 EP disclosed
WO-2020191079-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC REGULATORS OF T CELL PATHOGENICITY THE BROAD INSTITUTE, INC. (US) 2020-09-24 WO disclosed
US-9556113-B2 Combination uses of dichloroacetate and oxamate, and their prodrugs, for cancer treatment THE SOUTH DAKOTA BOARD OF REGENTS (US) 2017-01-31 US disclosed
US-9556113-B2 Combination uses of dichloroacetate and oxamate, and their prodrugs, for cancer treatment THE SOUTH DAKOTA BOARD OF REGENTS (US) 2017-01-31 US disclosed
US-20150315131-A1 COMBINATION USES OF DICHLOROACETATE AND OXAMATE, AND THEIR PRODRUGS, FOR CANCER TREATMENT SANFORD RESEARCH 2015-11-05 US disclosed
US-20150315131-A1 COMBINATION USES OF DICHLOROACETATE AND OXAMATE, AND THEIR PRODRUGS, FOR CANCER TREATMENT SANFORD RESEARCH 2015-11-05 US disclosed
WO-2011109874-A1 INHIBITION OF GLUTATHIONE TRANSFERASE ZETA THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2011-09-15 WO disclosed
US-5600088-A POLYMERIC COATING OF PRIMARY OR SECONDARY AMINE AND 3-NITRAZAPENTANE DIISOCYANATE FOR PROPELLANT PARTICLES, TO IMPROVE BONDING STRENGTH WITH BINDERS AEROJET GENERAL CORPORATION (US) 1997-02-04 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 (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-20150315131-A1 COMBINATION USES OF DICHLOROACETATE AND OXAMATE, AND THEIR PRODRUGS, FOR CANCER TREATMENT PDK3, PDK2, PDK4 LMNA 2839/4885KDM4E 1464/4885DUSP3 502/4885

“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.