SCHEMBL4246386

SCHEMBL4246386

CC(N)C(=O)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CTSS P25774 4/20 0.39
CTSK P43235 4/20 0.39
SLC15A1 P46059 1/20 0.39
CA12 O43570 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CYP2D6 P10635 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
DPP4 P27487 1/20 0.36
APLNR P35414 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL4246389 1.00 CA1 (0.42) CA1CA2CA7CTSSCTSK
SCHEMBL28898391 1.00 CA1 (0.42) CA1CA2CA7CTSSCTSK
SCHEMBL8723187 0.93 CA1 (0.38) CA1CA2CA7CTSSCTSK
SCHEMBL4327761 0.87 CA1 (0.40) CA1CA2CA7CTSSCTSK
SCHEMBL6387799 0.85 CA1 (0.39) CA1CA2CA7CTSSCTSK
SCHEMBL27450052 0.84 CA2 (0.43) CA1CA2CA7CTSSCTSK
SCHEMBL30699980 0.84 CA2 (0.43) CA1CA2CA7CTSSCTSK
SCHEMBL7886691 0.82 PRMT3 (0.39) CA1CA2CA7CTSSCTSK
SCHEMBL29396741 0.82 APLNR (0.46) CA1CA2CA7CTSSCTSK
SCHEMBL7403322 0.81 CA12 (0.36) CA1CA2CA7CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111646949-B Preparation method of 2, 6-dimethylpiperazine dihydrochloride 上海馨远医药科技有限公司 2021-03-30 CN claimed
CN-111646949-A Preparation method of 2, 6-dimethylpiperazine dihydrochloride 上海馨远医药科技有限公司 2020-09-11 CN claimed
CN-115551839-B Heteroaryl-triazole compounds as pesticides 拜耳公司 2024-06-04 CN disclosed
CN-115003663-B Novel heteroaryl-triazole compounds as pesticides 拜耳公司 2024-04-30 CN disclosed
US-20230148601-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-05-18 US disclosed
US-20230065953-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2023-03-02 US disclosed
US-20230058623-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES ELANCO ANIMAL HEALTH GMBH (DE) 2023-02-23 US disclosed
CN-115551839-A Heteroaryl-triazole compounds as pesticides 拜耳公司 2022-12-30 CN disclosed
EP-4107151-A1 HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2022-12-28 EP disclosed
EP-4065577-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2022-10-05 EP disclosed
EP-4061806-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2022-09-28 EP disclosed
US-7470795-B2 Synthesis of 6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonic acid amides BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-12-30 US disclosed
EP-1979309-A2 PROCESS FOR THE PREPARATION OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-A]IMIDAZOLE-3-SULFONIC ACID AMIDES AND INTERMEDIATES USED THEREIN Boehringer Ingelheim International GmbH (DE) 2008-10-15 EP disclosed
CN-101027304-A Synthesis of 6, 7-dihydro-5H-imidazo [1, 2-A ] imidazole-3-sulfonamides BOEHRINGER INGELHEIM INT (DE) 2007-08-29 CN disclosed
WO-2007084882-A2 PROCESS FOR THE PREPARATION OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-A]IMIDAZOLE-3-SULFONIC ACID AMIDES AND INTERMEDIATES USED THEREIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-26 WO disclosed
US-20070173517-A1 Synthesis of 6,7-Dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonic acid amides WIRTH THOMAS 2007-07-26 US disclosed
EP-1776367-A1 SYNTHESIS OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2-A¨IMIDAZOLE-3-SULFONIC ACID AMIDES Boehringer Ingelheim International GmbH (DE) 2007-04-25 EP disclosed
WO-2006014828-A1 SYNTHESIS OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-A]IMIDAZOLE-3-SULFONIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) 2006-02-09 WO disclosed
US-20060025447-A1 Synthesis of 6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonic acid amides BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-02 US disclosed
CN-1308608-A Substituted beta-amino acid inhibitors of methionine aminopeptidase-2 ABBOTT LAB (US) 2001-08-15 CN 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 (5 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-20230065953-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES GLRX3, TARS2, CYP4F3 CA1 4533/4885CA2 3818/4885CA7 4571/4885
US-20070173517-A1 Synthesis of 6,7-Dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonic acid amides ICAM1, CD14, VCAM1 CA1 2571/4885CA2 2683/4885CA7 1614/4885
US-20060025447-A1 Synthesis of 6,7-dihydro-5H-imidazo[1,2-a]imidazole-3-sulfonic acid amides ICAM1, CD14, VCAM1 CA1 2267/4885CA2 2613/4885CA7 1487/4885
US-20230148601-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES PRXL2A, GLRX3, CYP4F3 CA1 4409/4885CA2 3584/4885CA7 4537/4885
US-20230058623-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES PRXL2A, GLRX3, CYP4F3 CA1 4409/4885CA2 3584/4885CA7 4537/4885

“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.