SCHEMBL8436372

SCHEMBL8436372

CCC(C)(C)CNC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 2/20 0.36
PAOX Q6QHF9 3/20 0.35
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ACACB O00763 1/20 0.34
ADRA1A P35348 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EPHX1 P07099 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
CA2 P00918 1/20 0.30
PTGS1 P23219 1/20 0.30
MMP12 P39900 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 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
SCHEMBL24053122 0.89 KDM4E (0.34) KDM4EMAPK1HIF1ASMN1; SMN2HSD17B10
SCHEMBL21151855 0.83 ACACB (0.33) KDM4EMAPK1HIF1ASMN1; SMN2HSD17B10
SCHEMBL13290414 0.82 KDM4E (0.40) KDM4EMAPK1HIF1ASMN1; SMN2HSD17B10
SCHEMBL21915798 0.81 PAOX (0.38) KDM4EMAPK1HIF1ASMN1; SMN2HSD17B10
SCHEMBL6729276 0.80 SMN1; SMN2 (0.38) KDM4ESMN1; SMN2HSD17B10TSHRALDH1A1
SCHEMBL6729273 0.80 SMN1; SMN2 (0.38) SMN1; SMN2HSD17B10TSHREPHX1LMNA
SCHEMBL13290400 0.80 KDM4E (0.39) KDM4EMAPK1HIF1ASMN1; SMN2HSD17B10
SCHEMBL21452807 0.78 SMN1; SMN2 (0.41) KDM4EMAPK1HIF1ASMN1; SMN2HSD17B10
SCHEMBL21477756 0.78 KDM4E (0.37) KDM4EMAPK1HIF1ASMN1; SMN2HSD17B10
SCHEMBL13463180 0.78 KDM4E (0.43) KDM4EMAPK1HIF1ASMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4186888-A1 COMPOUND AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS ModernaTX, Inc. (US) 2023-05-31 EP disclosed
US-20220411410-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2022-12-29 US disclosed
WO-2022246266-A1 BASE EDITING OF TRANSTHYRETIN GENE BEAM THERAPEUTICS INC. (US) 2022-11-24 WO disclosed
WO-2021155267-A2 MRNAS ENCODING METABOLIC REPROGRAMMING POLYPEPTIDES AND USES THEREOF MODERNATX, INC. (US) 2021-08-05 WO disclosed
WO-2021076805-A1 MRNAS ENCODING IMMUNE MODULATING POLYPEPTIDES AND USES THEREOF Moderna TX, Inc. (US) 2021-04-22 WO disclosed
WO-2021026358-A1 COMPOSITIONS AND METHODS FOR ENHANCED DELIVERY OF AGENTS Moderna TX, Inc. (US) 2021-02-11 WO disclosed
WO-2020227537-A1 DIFFERENTIALLY EXPRESSED IMMUNE CELL MICRORNAS FOR REGULATION OF PROTEIN EXPRESSION Modernatx, Inc (US) 2020-11-12 WO disclosed
EP-3712162-A1 SMAC MIMETICS USED AS IAP INHIBITORS AND USE THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-09-23 EP disclosed
WO-2020061367-A1 COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS MODERNATX, INC. (US) 2020-03-26 WO disclosed
US-20190314291-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS TO IMMUNE CELLS MODERNATX, INC. 2019-10-17 US disclosed
US-8461128-B2 Anti-microbial agents and uses thereof SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2013-06-11 US disclosed
US-20110071206-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-24 US disclosed
US-20100331344-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-30 US disclosed
US-7776905-B2 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-17 US disclosed
US-20100113555-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-06 US disclosed
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency VERTEX PHARMACEUTICALS INCORPORATED 2007-10-18 US disclosed
EP-0777658-B1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AG (DE) 1999-12-15 EP disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
EP-0777658-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-06-11 EP disclosed
WO-1996005179-A1 SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-02-22 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 (6 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-20220411410-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KDM4E 4235/4885MAPK1 4563/4885HIF1A 1715/4885
US-20110071206-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 KDM4E 4235/4885MAPK1 4563/4885HIF1A 1715/4885
US-20100113555-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 KDM4E 4235/4885MAPK1 4563/4885HIF1A 1715/4885
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency CFTR, ABCD3, ABCC2 KDM4E 2724/4885MAPK1 4083/4885HIF1A 318/4885
US-20190314291-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS TO IMMUNE CELLS LCP2, CD14, MYD88 KDM4E 4100/4885MAPK1 2801/4885HIF1A 2944/4885
US-20100331344-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 KDM4E 4235/4885MAPK1 4563/4885HIF1A 1715/4885

“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.