SCHEMBL13764217

SCHEMBL13764217

CC(C)(C)OC(=O)N1CCCC(C(=O)CCl)C1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
MAPT P10636 1/20 0.70
HPGD P15428 1/20 0.54
EPHX1 P07099 1/20 0.45
GLS O94925 1/20 0.43
USP30 Q70CQ3 1/20 0.42
RECQL P46063 1/20 0.42
BACE1 P56817 2/20 0.41
NR1H2 P55055 1/20 0.41
CTSD P07339 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41
HSD11B1 P28845 1/20 0.41
LMNA P02545 1/20 0.41
PREP P48147 1/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3606330 0.89 HPGD (0.61) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL28949458 0.87 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL2219466 0.86 MEN1 (0.70) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL21834568 0.86 MEN1 (0.70) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL27619423 0.86 MEN1 (0.70) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL30258893 0.85 NR1H2 (0.51) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL8236284 0.84 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AMAPTHPGD
Hydrochloric Acid SCHEMBL30923198 0.84 MEN1 (0.68) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL18546437 0.84 MEN1 (0.68) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL17916283 0.84 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426248-B1 BICYCLIC ARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-11-15 EP disclosed
EP-3426248-B1 BICYCLIC ARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME LLC (US) 2023-11-15 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
US-10407421-B2 Bicyclic aryl monobactam compounds and methods of use thereof for the treatment of bacterial infections MERCK SHARP & DOHME CORP (US) 2019-09-10 US disclosed
US-10407421-B2 Bicyclic aryl monobactam compounds and methods of use thereof for the treatment of bacterial infections MERCK SHARP & DOHME CORP (US) 2019-09-10 US disclosed
US-20190071436-A1 BICYCLIC ARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2019-03-07 US disclosed
US-20190071436-A1 BICYCLIC ARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2019-03-07 US disclosed
EP-3426248-A1 BICYCLIC ARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS Merck Sharp & Dohme Corp. (US) 2019-01-16 EP disclosed
WO-2017155765-A1 BICYCLIC ARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2017-09-14 WO disclosed
WO-2017155765-A1 BICYCLIC ARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MERCK SHARP & DOHME CORP. (US) 2017-09-14 WO disclosed
US-7557104-B2 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION (US) 2009-07-07 US disclosed
US-7557104-B2 Imidazopyrazines as protein kinase inhibitors SCHERING CORPORATION (US) 2009-07-07 US disclosed
US-20080027063-A1 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION 2008-01-31 US disclosed
US-20080027063-A1 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION 2008-01-31 US 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-10407421-B2 Bicyclic aryl monobactam compounds and methods of use thereof for the treatment of bacterial infections MGAM, BMX, XDH ALDH1A1 579/4885MEN1 3075/4885KMT2A 468/4885
US-20080027063-A1 IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS CHEK1, CHEK2, CDKN1A ALDH1A1 3481/4885MEN1 2085/4885KMT2A 883/4885
US-20190071436-A1 BICYCLIC ARYL MONOBACTAM COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF BACTERIAL INFECTIONS MGAM, BMX, XDH ALDH1A1 579/4885MEN1 3075/4885KMT2A 468/4885

“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.