SCHEMBL314096

SCHEMBL314096

C=C(CC)C(=O)c1ccc(OCC(N)=O)c(Cl)c1Cl

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 15/20 0.78
GSTA1 P08263 9/20 0.78
ALDH1A1 P00352 2/20 0.78
HTT P42858 2/20 0.78
MEN1 O00255 1/20 0.78
ABCC3 O15438 1/20 0.78
PLIN1 O60240 1/20 0.78
LMNA P02545 1/20 0.78
TP53 P04637 1/20 0.78
MAPT P10636 1/20 0.78
HSPD1 P10809 1/20 0.78
CYP2C9 P11712 1/20 0.78
TSHR P16473 1/20 0.78
RECQL P46063 1/20 0.78
MAP2K6 P52564 1/20 0.78
HSPE1 P61604 1/20 0.78
GSTO1 P78417 1/20 0.78
PLIN5 Q00G26 1/20 0.78
KMT2A Q03164 1/20 0.78
ATM Q13315 1/20 0.78

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
Ethacrynic Acid SCHEMBL9108011 0.88 GSTP1 (1.00) GSTP1GSTA1ALDH1A1HTTMEN1
SCHEMBL10014667 0.88 GSTP1 (0.80) GSTP1GSTA1ALDH1A1HTTMEN1
Ethacrynic Acid SCHEMBL26353 0.88 GSTP1 (1.00) GSTP1GSTA1ALDH1A1HTTMEN1
SCHEMBL10031684 0.88 GSTP1 (0.80) GSTP1GSTA1ALDH1A1HTTMEN1
Ethacrynic Acid SCHEMBL29384243 0.88 GSTP1 (1.00) GSTP1GSTA1ALDH1A1HTTMEN1
SCHEMBL3713736 0.88 GSTP1 (0.80) GSTP1GSTA1ALDH1A1HTTMEN1
SCHEMBL15285485 0.86 GSTP1 (0.78) GSTP1GSTA1ALDH1A1HTTMEN1
Ethacrynic Acid SCHEMBL2482896 0.86 GSTP1 (0.97) GSTP1GSTA1ALDH1A1HTTMEN1
Ethacrynic Acid SCHEMBL905726 0.86 GSTP1 (0.97) GSTP1GSTA1ALDH1A1HTTMEN1
Ethacrynic Acid SCHEMBL3713733 0.86 GSTP1 (0.97) GSTP1GSTA1ALDH1A1HTTMEN1

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-10557853-B2 Molecular sensor and methods of use thereof YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2020-02-11 US disclosed
US-20170307625-A1 MOLECULAR SENSOR AND METHODS OF USE THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-10-26 US disclosed
US-9765019-B2 Small-molecule-targeted protein degradation BRANDEIS UNIVERSITY (US) 2017-09-19 US disclosed
US-9696310-B2 Molecular sensor and methods of use thereof YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-07-04 US disclosed
US-20150276753-A1 MOLECULAR SENSOR AND METHODS OF USE THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2015-10-01 US disclosed
US-20130190340-A1 Small-Molecule-Targeted Protein Degradation BRANDEIS UNIVERSITY (US) 2013-07-25 US disclosed
US-20130156701-A1 METHOD OF PREPARING ETHACRYNIC AMIDE DERIVATIVES AND APPLICATION THEREOF NATIONAL TSING HUA UNIVERSITY (TW) 2013-06-20 US disclosed
US-20130156701-A1 METHOD OF PREPARING ETHACRYNIC AMIDE DERIVATIVES AND APPLICATION THEREOF NATIONAL TSING HUA UNIVERSITY (TW) 2013-06-20 US disclosed
US-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 US disclosed
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-15 US disclosed
US-20110306671-A1 AMIDE DERIVATIVES OF ETHACRYNIC ACID The Regents of the The University of California (US) 2011-12-15 US disclosed
WO-2010077310-A2 AMIDE DERIVATIVES OF ETHACRYNIC ACID THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-08 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 (7 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-20130156701-A1 METHOD OF PREPARING ETHACRYNIC AMIDE DERIVATIVES AND APPLICATION THEREOF FAP, ALK, PIGO GSTP1 66/4885GSTA1 130/4885ALDH1A1 617/4885
US-20150276753-A1 MOLECULAR SENSOR AND METHODS OF USE THEREOF MAVS, STIM1, HSPE1 GSTP1 2603/4885GSTA1 2413/4885ALDH1A1 2649/4885
US-20130190340-A1 Small-Molecule-Targeted Protein Degradation SMURF2, SMURF1, MDM2 GSTP1 2946/4885GSTA1 2722/4885ALDH1A1 3772/4885
US-20170307625-A1 MOLECULAR SENSOR AND METHODS OF USE THEREOF MAVS, STIM1, HSPE1 GSTP1 2603/4885GSTA1 2413/4885ALDH1A1 2649/4885
US-20110306671-A1 AMIDE DERIVATIVES OF ETHACRYNIC ACID EPX, TNF, NFKBIA GSTP1 492/4885GSTA1 258/4885ALDH1A1 102/4885
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID CYP4F2, ACR, CYP4F3 GSTP1 33/4885GSTA1 78/4885ALDH1A1 48/4885
US-10557853-B2 Molecular sensor and methods of use thereof MAVS, STIM1, HSPE1 GSTP1 2603/4885GSTA1 2413/4885ALDH1A1 2649/4885

“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.