SCHEMBL6451691

SCHEMBL6451691

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(C=O)cn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
SYK P43405 1/20 0.36
PDPK1 O15530 1/20 0.35
ALDH1A1 P00352 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
SSTR4 P31391 1/20 0.33
USP30 Q70CQ3 1/20 0.32
MIF P14174 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32

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
SCHEMBL27211201 0.85 RAB9A (0.40) KDM4ESYKPDPK1ALDH1A1POLB
SCHEMBL476557 0.83 P4HTM (0.48) KDM4EALDH1A1NPC1RAB9A
SCHEMBL476517 0.83 P4HTM (0.48) KDM4EALDH1A1NPC1RAB9A
SCHEMBL21143163 0.82 NR1H2 (0.42) KDM4ESYKPDPK1ALDH1A1NPC1
SCHEMBL721864 0.80 TBXAS1 (0.41) KDM4ESYKPDPK1NPC1MAPT
SCHEMBL721863 0.80 TBXAS1 (0.41) KDM4ESYKPDPK1NPC1MAPT
SCHEMBL2031522 0.80 SYK (0.38) KDM4ESYKPDPK1ALDH1A1L3MBTL1
SCHEMBL13409594 0.80 USP30 (0.34) KDM4EPDPK1ALDH1A1L3MBTL1POLB
SCHEMBL12742316 0.79 SYK (0.40) KDM4ESYKPDPK1ALDH1A1L3MBTL1
SCHEMBL6451838 0.79 SYK (0.36) SYKPDPK1L3MBTL1SSTR4USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976057-B2 MrgX2 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-05-07 US disclosed
CN-117377657-A Method for preparing pexidasatinib 庄信万丰股份有限公司 2024-01-09 CN disclosed
CN-116390917-A MRGX2 antagonists 葛兰素史密斯克莱知识产权发展有限公司 2023-07-04 CN disclosed
US-20230131535-A1 ARYLMETHYLENE AROMATIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-04-27 US disclosed
US-20230131535-A1 ARYLMETHYLENE AROMATIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-04-27 US disclosed
US-20230131535-A1 ARYLMETHYLENE AROMATIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-04-27 US disclosed
EP-3581573-B1 SYNTHESIS OF A COMPOUND THAT MODULATES KINASES PLEXXIKON INC (US) 2022-07-06 EP disclosed
US-20220112174-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 US disclosed
WO-2021071821-A1 ARYLMETHYLENE AROMATIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. SHAW RESEARCH, LLC (US) 2021-04-15 WO disclosed
US-10730876-B2 Synthesis of a compound that modulates kinases PLEXXIKON INC. (US) 2020-08-04 US disclosed
US-20160326169-A1 SYNTHESIS OF A COMPOUND THAT MODULATES KINASES DAIICHI SANKYO, INC. 2016-11-10 US disclosed
US-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 US disclosed
US-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 US disclosed
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
WO-2011057022-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-12 WO disclosed
EP-1534700-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2005-06-01 EP disclosed
US-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them WARNER-LAMBERT COMPANY LLC 2004-04-15 US disclosed
WO-2004018448-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO disclosed
EP-1394159-A1 New thiophene derivatives, process for their preparation and pharmaceutical compositions containing them Warner-Lambert Company LLC (US) 2004-03-03 EP 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-10730876-B2 Synthesis of a compound that modulates kinases FLT3, KIT, MAP3K1 KDM4E 1453/4885SYK 239/4885PDPK1 135/4885
US-11976057-B2 MrgX2 antagonists MRGPRX2, MRGPRX1, MRGPRX4 KDM4E 2811/4885SYK 4865/4885PDPK1 3525/4885
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF KDM4E 2135/4885SYK 52/4885PDPK1 296/4885
US-20160326169-A1 SYNTHESIS OF A COMPOUND THAT MODULATES KINASES FLT3, KIT, MAP3K1 KDM4E 1453/4885SYK 239/4885PDPK1 135/4885
US-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them MMP11, MMP13, CBR1 KDM4E 2797/4885SYK 4162/4885PDPK1 4797/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 KDM4E 2811/4885SYK 4865/4885PDPK1 3525/4885
US-20230131535-A1 ARYLMETHYLENE AROMATIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNJ2, KCNA3, KCNK3 KDM4E 217/4885SYK 840/4885PDPK1 462/4885

“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.