SCHEMBL1743765

SCHEMBL1743765

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
CTSK P43235 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 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
SCHEMBL7822610 0.82 CTSK (0.33) DGAT1CA1CA2CA7CA12
SCHEMBL6039782 0.81 DGAT1 (0.35) DGAT1CA1CA2CA7CA12
SCHEMBL14922218 0.80
SCHEMBL6624042 0.80 CA1 (0.43) CA1CA2CA7CA12CA14
SCHEMBL1278864 0.80 PTPRC (0.33) CA1CA2CA7CA12CA14
SCHEMBL16967740 0.80 MEN1 (0.33) CA1CA2CA7KMT2ACTSK
SCHEMBL3177194 0.80 MEN1 (0.33) CA1CA2CA7KMT2ACTSK
SCHEMBL3161545 0.80 MEN1 (0.33) CA1CA2CA7KMT2ACTSK
SCHEMBL6977014 0.78 CYP2D6 (0.33) CA1CA2CA7CTSK
SCHEMBL3174619 0.78 CA12 (0.41) DGAT1CA2CA12CA14

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4086255-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS Mutabilis (FR) 2022-11-09 EP disclosed
EP-3519411-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2022-06-22 EP disclosed
CN-113929680-A Heterocyclic compounds and their use in the prevention or treatment of bacterial infections 拜欧蒂姆公司 2022-01-14 CN disclosed
CN-109906226-B Heterocyclic compounds and their use in the prevention or treatment of bacterial infections 拜欧蒂姆公司 2021-11-02 CN disclosed
US-10722520-B2 Heterocyclic compounds and their use in preventing or treating bacterial infections MUTABILIS (FR) 2020-07-28 US disclosed
US-20190224210-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS MUTABILIS (FR) 2019-07-25 US disclosed
US-9309211-B2 Arylalkene derivatives and use thereof as selective estrogen receptor modulators CENTAURUS BIOPHARMA CO., LTD. (CN) 2016-04-12 US disclosed
EP-1981889-B1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI SA (FR) 2014-01-15 EP disclosed
CN-101374846-B Cytotoxic agents containing novel tomaymycin derivatives and their therapeutic use SANOFI AVENTIS 2013-10-30 CN disclosed
US-8163736-B2 Cytotoxic agents comprising new tomaymycin derivatives SANOFI-AVENTIS (FR) 2012-04-24 US disclosed
EP-2386559-A1 Cytotoxiv agents comprising new tomaymycin derivatives and their therapeutic use SANOFI (FR) 2011-11-16 EP disclosed
US-20110254808-A1 REFLECTIVE TOUCH DISPLAY PANEL AND MANUFACTURING METHOD THEREOF AU OPTRONICS CORPORATION (TW) 2011-10-20 US disclosed
EP-2371827-A1 Cytotoxic agents comprising new tomaymycin derivatives and their therapeutic use SANOFI (FR) 2011-10-05 EP disclosed
CN-101374846-A Cytotoxic agents containing novel tomaymycin derivatives and their therapeutic use SANOFI AVENTIS (FR) 2009-02-25 CN disclosed
US-20090036431-A1 Cytotoxic Agents Comprising New Tomaymycin Derivatives SANOFI-AVENTIS (FR) 2009-02-05 US disclosed
EP-1981889-A1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE Sanofi-Aventis (FR) 2008-10-22 EP disclosed
WO-2007085930-A1 CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-08-02 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 (3 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-20090036431-A1 Cytotoxic Agents Comprising New Tomaymycin Derivatives TOMM70, TOMM34, TOMM40 DGAT1 3120/4885CA1 4881/4885CA2 4727/4885
US-10722520-B2 Heterocyclic compounds and their use in preventing or treating bacterial infections GNE, CFTR, FPR1 DGAT1 1457/4885CA1 3719/4885CA2 1725/4885
US-20190224210-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN PREVENTING OR TREATING BACTERIAL INFECTIONS GNE, CFTR, FPR1 DGAT1 1457/4885CA1 3719/4885CA2 1725/4885

“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.