SCHEMBL12475162

SCHEMBL12475162

CC(C)(C)OC(=O)NCC(O)CNC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.43
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 1/20 0.42
SYK P43405 1/20 0.42
CTSS P25774 5/20 0.41
CTSK P43235 5/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
SERPINE1 P05121 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
APLNR P35414 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
SCHEMBL570033 0.92 MEN1 (0.50) MEN1GAAKMT2ATDP1CYP2D6
SCHEMBL3957007 0.87 MEN1 (0.45) MEN1GAAKMT2ATDP1SYK
SCHEMBL13960156 0.87 MEN1 (0.46) MEN1GAAKMT2ATDP1CYP2D6
SCHEMBL16379307 0.87 MEN1 (0.46) MEN1GAAKMT2ATDP1CYP2D6
SCHEMBL2284087 0.85 MEN1 (0.45) MEN1GAAKMT2ATDP1CYP2D6
SCHEMBL15571118 0.84 MEN1 (0.44) MEN1GAAKMT2ATDP1CYP2D6
SCHEMBL2871265 0.84 MEN1 (0.47) MEN1GAAKMT2ATDP1CYP2D6
SCHEMBL5708384 0.84 MEN1 (0.47) MEN1GAAKMT2ATDP1CYP2D6
SCHEMBL15571119 0.84 MEN1 (0.44) MEN1GAAKMT2ATDP1CYP2D6
SCHEMBL5708383 0.84 MEN1 (0.47) MEN1GAAKMT2ATDP1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126855-B1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN LA ROCHE (CH) 2024-04-24 EP disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
EP-4126855-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2023-02-08 EP disclosed
CN-108778273-B Bicyclic aryl monocyclic beta-lactam compounds and methods of use thereof for treating bacterial infections 默沙东公司 2022-06-17 CN disclosed
WO-2021190727-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2021-09-30 WO disclosed
EP-2675274-A1 SORAFENIB DERIVATIVES AS sEH INHIBITORS The Regents of the University of California (US) 2013-12-25 EP disclosed
EP-2673281-A1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF Rempex Pharmaceuticals, Inc. (US) 2013-12-18 EP disclosed
WO-2012112570-A1 SORAFENIB DERIVATIVES AS sEH INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-08-23 WO disclosed
WO-2012109164-A1 BORON CONTAINING POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTICS USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2012-08-16 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 (1 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-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION LTB4R, C5, C3AR1 MEN1 1863/4885GAA 2481/4885KMT2A 3563/4885

“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.