SCHEMBL313019

SCHEMBL313019

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 15/20 0.67
GSTA1 P08263 9/20 0.67
KMT2A Q03164 2/20 0.67
MEN1 O00255 1/20 0.67
ABCC3 O15438 1/20 0.67
PLIN1 O60240 1/20 0.67
ALDH1A1 P00352 1/20 0.67
LMNA P02545 1/20 0.67
TP53 P04637 1/20 0.67
MAPT P10636 1/20 0.67
HSPD1 P10809 1/20 0.67
CYP2C9 P11712 1/20 0.67
TSHR P16473 1/20 0.67
HTT P42858 1/20 0.67
RECQL P46063 1/20 0.67
MAP2K6 P52564 1/20 0.67
HSPE1 P61604 1/20 0.67
GSTO1 P78417 1/20 0.67
PLIN5 Q00G26 1/20 0.67
ATM Q13315 1/20 0.67

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
SCHEMBL10001140 0.92 GSTP1 (0.57) GSTP1GSTA1KMT2AMEN1ABCC3
SCHEMBL1523469 0.91 GSTP1 (0.64) GSTP1GSTA1KMT2AMEN1ABCC3
SCHEMBL313295 0.90 GSTP1 (0.63) GSTP1GSTA1KMT2AMEN1ABCC3
SCHEMBL1524793 0.90 GSTP1 (0.63) GSTP1GSTA1KMT2AMEN1ABCC3
SCHEMBL27172587 0.90 GSTP1 (0.68) GSTP1GSTA1KMT2AMEN1ABCC3
SCHEMBL17128748 0.89 GSTP1 (0.67) GSTP1GSTA1KMT2AMEN1ABCC3
SCHEMBL27172547 0.89 GSTP1 (0.70) GSTP1GSTA1KMT2AMEN1ABCC3
SCHEMBL17104724 0.89 GSTP1 (0.67) GSTP1GSTA1KMT2AMEN1ABCC3
SCHEMBL15848176 0.87 GSTP1 (0.58) GSTP1GSTA1KMT2AMEN1ABCC3
SCHEMBL9717560 0.85 GSTP1 (0.80) GSTP1GSTA1KMT2AMEN1ABCC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287003-A1 ETHACRYNIC ACID DERIVATIVES AS INHIBITORS OF MPRO PROTEASE AND SARS-COV-2 REPLICATION UNIVERSITE EUROMEDITERRANEENNE DE FES (MA) 2024-08-29 US claimed
EP-4337642-A1 ETHACRYNIC ACID DERIVATIVES AS INHIBITORS OF MPRO PROTEASE AND SARS-COV-2 REPLICATION Universite Euro-Mediterraneenne de Fes (MA) 2024-03-20 EP claimed
US-20240287003-A1 ETHACRYNIC ACID DERIVATIVES AS INHIBITORS OF MPRO PROTEASE AND SARS-COV-2 REPLICATION UNIVERSITE EUROMEDITERRANEENNE DE FES (MA) 2024-08-29 US disclosed
EP-4337642-A1 ETHACRYNIC ACID DERIVATIVES AS INHIBITORS OF MPRO PROTEASE AND SARS-COV-2 REPLICATION Universite Euro-Mediterraneenne de Fes (MA) 2024-03-20 EP disclosed
CN-117730074-A Diuretic acid derivatives as inhibitors of MPRO protease and SARS-COV-2 replication 菲斯欧洲地中海大学 2024-03-19 CN disclosed
WO-2022240277-A1 ETHACRYNIC ACID DERIVATIVES AS INHIBITORS OF MPRO PROTEASE AND SARS-COV-2 REPLICATION UNIVERSITE EURO-MEDITERRANEENNE DE FES (MA) 2022-11-17 WO 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-20110245088-A1 AMIDE-BASED SOLUTION-PHASE DERIVED LIBRARY AND METHOD FOR SCREENING THEREOF NATIONAL TSING HUA UNIVERSITY (TW) 2011-10-06 US disclosed
US-20110077430-A1 Method and precursor for production of no-carrier-added N-(4-[18F] fluorobutyl)-Ethacrynic amide INSTITUTE OF NUCLEAR ENERGY RESEARCH (TW) 2011-03-31 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 (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-20130156701-A1 METHOD OF PREPARING ETHACRYNIC AMIDE DERIVATIVES AND APPLICATION THEREOF FAP, ALK, PIGO GSTP1 66/4885GSTA1 130/4885KMT2A 3172/4885
US-20240287003-A1 ETHACRYNIC ACID DERIVATIVES AS INHIBITORS OF MPRO PROTEASE AND SARS-COV-2 REPLICATION ACE2, ACE, TMPRSS2 GSTP1 706/4885GSTA1 1390/4885KMT2A 4038/4885
US-20110077430-A1 Method and precursor for production of no-carrier-added N-(4-[18F] fluorobutyl)-Ethacrynic amide PFAS, NAPA, NAA15 GSTP1 233/4885GSTA1 66/4885KMT2A 1562/4885
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID CYP4F2, ACR, CYP4F3 GSTP1 33/4885GSTA1 78/4885KMT2A 4174/4885

“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.