SCHEMBL12469853

SCHEMBL12469853

C=C(COC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F)C(=O)NCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 2/20 1.00
LMNA P02545 1/20 0.49
HPGD P15428 5/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 1/20 0.40
ELANE P08246 1/20 0.39
CASP3 P42574 1/20 0.39
CASP6 P55212 1/20 0.39
CASP8 Q14790 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL12469879 0.81 TXNRD1 (1.00) TXNRD1LMNAHPGDMEN1KMT2A
SCHEMBL16672088 0.81 TXNRD1 (0.73) TXNRD1HPGDMEN1KMT2AMAPT
SCHEMBL16638891 0.81 TXNRD1 (0.67) TXNRD1LMNAHPGDMEN1KMT2A
SCHEMBL24585205 0.79 TXNRD1 (0.70) TXNRD1LMNAHPGDMEN1KMT2A
SCHEMBL12469658 0.75 TXNRD1 (0.60) TXNRD1LMNAHPGDMEN1KMT2A
SCHEMBL12469657 0.73 TXNRD1 (0.57) TXNRD1LMNAHPGDMEN1KMT2A
SCHEMBL4740792 0.73 TXNRD1 (0.56) TXNRD1LMNAHPGDMEN1KMT2A
SCHEMBL12438732 0.72 TXNRD1 (0.59) TXNRD1LMNAHPGDMEN1KMT2A
SCHEMBL24585199 0.71 TXNRD1 (0.58) TXNRD1LMNAHPGDMEN1KMT2A
SCHEMBL24585189 0.71 KMT2A (0.67) TXNRD1LMNAHPGDMEN1KMT2A

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-9018255-B2 Esters of (acyloxymethyl)acrylamide, a pharmaceutical composition containing them, and their use as inhibitors of the thioredoxin—thioredoxin reductase system Instytut Chemii Organicznej Polskiej Akademii Nauk (PL) 2015-04-28 US claimed
EP-2627628-B1 NOVEL ESTERS OF (ACYLOXYMETHYL)ACRYLAMIDE, A PHARMACEUTICAL COMPOSITION CONTAINING THEM, AND THEIR USE AS INHIBITORS OF THE THIOREDOXIN - THIOREDOXIN REDUCTASE SYSTEM INST CHEMII ORGANICZNEJ POLSKIEJ AKADEMII NAUK (PL) 2015-04-15 EP claimed
US-20130317102-A1 Novel Esters of (Acyloxymethyl)Acrylamide, a Pharmaceutical Composition Containing Them, and Their use as Inhibitors of the Thioredoxin - Thioredoxin Reductase System Instytut Chemii Organicznej Polskiej Akademii Nauk (PL) 2013-11-28 US claimed
EP-2627628-A1 NOVEL ESTERS OF (ACYLOXYMETHYL)ACRYLAMIDE, A PHARMACEUTICAL COMPOSITION CONTAINING THEM, AND THEIR USE AS INHIBITORS OF THE THIOREDOXIN - THIOREDOXIN REDUCTASE SYSTEM Instytut Chemii Fizycznej Polskiej Akademii Nauk (PL) 2013-08-21 EP claimed
WO-2012050465-A1 NOVEL ESTERS OF (ACYLOXYMETHYL)ACRYLAMIDE, A PHARMACEUTICAL COMPOSITION CONTAINING THEM, AND THEIR USE AS INHIBITORS OF THE THIOREDOXIN - THIOREDOXIN REDUCTASE SYSTEM Instytut Chemii Organicznej Polskiej Akademii Nauk (PL) 2012-04-19 WO claimed
US-9018255-B2 Esters of (acyloxymethyl)acrylamide, a pharmaceutical composition containing them, and their use as inhibitors of the thioredoxin—thioredoxin reductase system Instytut Chemii Organicznej Polskiej Akademii Nauk (PL) 2015-04-28 US disclosed
US-9018255-B2 Esters of (acyloxymethyl)acrylamide, a pharmaceutical composition containing them, and their use as inhibitors of the thioredoxin—thioredoxin reductase system Instytut Chemii Organicznej Polskiej Akademii Nauk (PL) 2015-04-28 US disclosed
EP-2627628-B1 NOVEL ESTERS OF (ACYLOXYMETHYL)ACRYLAMIDE, A PHARMACEUTICAL COMPOSITION CONTAINING THEM, AND THEIR USE AS INHIBITORS OF THE THIOREDOXIN - THIOREDOXIN REDUCTASE SYSTEM INST CHEMII ORGANICZNEJ POLSKIEJ AKADEMII NAUK (PL) 2015-04-15 EP disclosed
EP-2627628-B1 NOVEL ESTERS OF (ACYLOXYMETHYL)ACRYLAMIDE, A PHARMACEUTICAL COMPOSITION CONTAINING THEM, AND THEIR USE AS INHIBITORS OF THE THIOREDOXIN - THIOREDOXIN REDUCTASE SYSTEM INST CHEMII ORGANICZNEJ POLSKIEJ AKADEMII NAUK (PL) 2015-04-15 EP disclosed
US-20130317102-A1 Novel Esters of (Acyloxymethyl)Acrylamide, a Pharmaceutical Composition Containing Them, and Their use as Inhibitors of the Thioredoxin - Thioredoxin Reductase System Instytut Chemii Organicznej Polskiej Akademii Nauk (PL) 2013-11-28 US disclosed
EP-2627628-A1 NOVEL ESTERS OF (ACYLOXYMETHYL)ACRYLAMIDE, A PHARMACEUTICAL COMPOSITION CONTAINING THEM, AND THEIR USE AS INHIBITORS OF THE THIOREDOXIN - THIOREDOXIN REDUCTASE SYSTEM Instytut Chemii Fizycznej Polskiej Akademii Nauk (PL) 2013-08-21 EP disclosed
WO-2012050465-A1 NOVEL ESTERS OF (ACYLOXYMETHYL)ACRYLAMIDE, A PHARMACEUTICAL COMPOSITION CONTAINING THEM, AND THEIR USE AS INHIBITORS OF THE THIOREDOXIN - THIOREDOXIN REDUCTASE SYSTEM Instytut Chemii Organicznej Polskiej Akademii Nauk (PL) 2012-04-19 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 (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-20130317102-A1 Novel Esters of (Acyloxymethyl)Acrylamide, a Pharmaceutical Composition Containing Them, and Their use as Inhibitors of the Thioredoxin - Thioredoxin Reductase System TXNRD3, TXNRD1, TXN TXNRD1 2/4885LMNA 4055/4885HPGD 151/4885

“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.