SCHEMBL2878283

SCHEMBL2878283

CC(C)(C)OC(=O)n1ccc2c(F)cccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BUB1 O43683 1/20 0.42
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
FABP4 P15090 1/20 0.41
SCN5A Q14524 1/20 0.41
NOTUM Q6P988 1/20 0.41
ACLY P53396 1/20 0.40
AKT1 P31749 1/20 0.39
BCHE P06276 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
NR3C2 P08235 1/20 0.38
HTR6 P50406 1/20 0.38
MAP2K4 P45985 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PIM1 P11309 1/20 0.37
MARK3 P27448 1/20 0.37

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
SCHEMBL3836430 0.84 L3MBTL1 (0.45) L3MBTL1BUB1BRD4CREBBPNOTUM
SCHEMBL18487086 0.84 L3MBTL1 (0.45) L3MBTL1BUB1BRD4CREBBPNOTUM
SCHEMBL424580 0.84 L3MBTL1 (0.48) L3MBTL1BUB1BRD4CREBBPFABP4
SCHEMBL29507058 0.82 L3MBTL1 (0.44) L3MBTL1BUB1BRD4CREBBPNOTUM
SCHEMBL30763696 0.82 NOTUM (0.63) L3MBTL1BUB1BRD4CREBBPNOTUM
SCHEMBL3237691 0.82 L3MBTL1 (0.44) SCN9AL3MBTL1BUB1BRD4CREBBP
SCHEMBL18788881 0.82 L3MBTL1 (0.44) L3MBTL1BUB1BRD4CREBBPNOTUM
SCHEMBL29507077 0.82 L3MBTL1 (0.44) SCN9AL3MBTL1BUB1BRD4CREBBP
SCHEMBL1284244 0.82 L3MBTL1 (0.44) L3MBTL1BUB1BRD4CREBBPNOTUM
SCHEMBL2878376 0.82 NOTUM (0.63) L3MBTL1BUB1BRD4CREBBPNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230032101-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2023-02-02 US disclosed
EP-4053124-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-09-07 EP disclosed
WO-2021083060-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2021-05-06 WO disclosed
EP-2953461-B1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME (US) 2020-04-22 EP disclosed
EP-2953462-B1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME (US) 2020-04-08 EP disclosed
EP-2953456-B1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME (US) 2019-05-22 EP disclosed
EP-3013333-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME (US) 2019-03-27 EP disclosed
EP-3013333-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME (US) 2019-03-27 EP disclosed
EP-2753325-B1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME (US) 2018-09-19 EP disclosed
US-9549921-B2 Heterocyclic compounds and methods of use thereof for the treatment of hepatitis C MERCK SHARP & DOHME CORP. (US) 2017-01-24 US disclosed
WO-2014121417-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2014-08-14 WO disclosed
US-20140213571-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME LLC 2014-07-31 US disclosed
WO-2013033971-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2013-03-14 WO disclosed
US-8343981-B2 Heterocyclyl-substituted dihydroquinazolines and their use as antiviral agents AICURIS GMBH & CO. KG (DE) 2013-01-01 US disclosed
US-8343981-B2 Heterocyclyl-substituted dihydroquinazolines and their use as antiviral agents AICURIS GMBH & CO. KG (DE) 2013-01-01 US disclosed
US-20110015401-A1 Metal-Catalyzed Carbon-Fluorine Bond Formation MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-01-20 US disclosed
EP-2066628-B1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI AVENTIS (FR) 2010-10-20 EP disclosed
US-20090176804-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2009-07-09 US disclosed
EP-2066628-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2009-06-10 EP disclosed
WO-2008014186-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2008-01-31 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 (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-20230032101-A1 FIVE-MEMBERED HETEROCYCLIC OXOCARBOXYLIC ACID COMPOUND AND MEDICAL USE THEREOF STING1, CGAS, IRF3 SCN9A 2234/4885L3MBTL1 4540/4885BUB1 4157/4885
US-20110015401-A1 Metal-Catalyzed Carbon-Fluorine Bond Formation FLI1, VGF, GMFG SCN9A 3561/4885L3MBTL1 1577/4885BUB1 4789/4885
US-20090176804-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, CYSLTR2 SCN9A 4644/4885L3MBTL1 3527/4885BUB1 1694/4885
US-20140213571-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES HCCS, HAVCR2, EIF2AK2 SCN9A 3482/4885L3MBTL1 4100/4885BUB1 3122/4885

“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.