SCHEMBL2216944

SCHEMBL2216944

CC(C)(C)OC(=O)N1CC[C@H]2NC(=O)[C@H]21

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
DDB1 Q16531 2/20 0.40
CRBN Q96SW2 2/20 0.40
NR1I2 O75469 5/20 0.38
HSD17B10 Q99714 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL12440365 1.00 KDM4E (0.40) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL15312742 1.00 KDM4E (0.40) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL13809021 0.78 GAA (0.42)
SCHEMBL26105496 0.78 DDB1 (0.41) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL5939108 0.75 GPR119 (0.43) KDM4EMAPTTHRBHSD17B10
SCHEMBL23373610 0.73 GPR119 (0.41) KDM4EMAPTTHRBHSD17B10
SCHEMBL5937755 0.73 GPR119 (0.41) KDM4EMAPTTHRBHSD17B10
SCHEMBL927569 0.72 HSD17B10 (0.39) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL3336534 0.72 HSD17B10 (0.39) KDM4EMAPTTHRBDDB1CRBN
SCHEMBL3338925 0.72 HSD17B10 (0.39) KDM4EMAPTTHRBDDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346799-B2 Useful combinations of monobactam antibiotics with beta-lactamase inhibitors BASILEA PHARMACEUTICALS AG (CH) 2016-05-24 US disclosed
US-9346799-B2 Useful combinations of monobactam antibiotics with beta-lactamase inhibitors BASILEA PHARMACEUTICALS AG (CH) 2016-05-24 US disclosed
US-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2016-05-05 US disclosed
US-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2016-05-05 US disclosed
US-20150031662-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2015-01-29 US disclosed
US-20150031662-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2015-01-29 US disclosed
US-8901293-B2 Useful combinations of monobactam antibiotics with beta-lactamase inhibitors BASILEA PHARMACEUTICA AG (CH) 2014-12-02 US disclosed
US-8901293-B2 Useful combinations of monobactam antibiotics with beta-lactamase inhibitors BASILEA PHARMACEUTICA AG (CH) 2014-12-02 US disclosed
US-8877961-B2 Bridged monobactam intermediates BASILEA PHARMACEUTICA AG (CH) 2014-11-04 US disclosed
US-20130274503-A1 PROCESS FOR THE MANUFACTURE OF BRIDGED MONOBACTAM INTERMEDIATES BASILEA PHARMACEUTICA AG (CH) 2013-10-17 US disclosed
US-8450477-B2 Process for the manufacture of bridged monobactam intermediates Basilea Pharmaceutica A.G. (CH) 2013-05-28 US disclosed
US-20110178291-A1 Process for the manufacture of bridged monobactam intermediates Basilea Pharmacuetica AG 2011-07-21 US disclosed
US-20100305315-A1 Process for the preparation of 2-(primary/secondary amino)hydrocarbyl)-carbamoyl-7-oxo-2,6-diaza-bicyclo [3.2.0.]heptane-6-sulfonic acid derivatives BASILEA PHARMACEUTICA AG 2010-12-02 US disclosed
US-20100305315-A1 Process for the preparation of 2-(primary/secondary amino)hydrocarbyl)-carbamoyl-7-oxo-2,6-diaza-bicyclo [3.2.0.]heptane-6-sulfonic acid derivatives BASILEA PHARMACEUTICA AG 2010-12-02 US disclosed
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors BASILEA PHARMACEUTICA AG (CH) 2010-03-04 US disclosed
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors BASILEA PHARMACEUTICA AG (CH) 2010-03-04 US disclosed
US-20100009957-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK SHARP & DOHME CORP. 2010-01-14 US disclosed
US-20100009957-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK SHARP & DOHME CORP. 2010-01-14 US disclosed
WO-2009071638-A2 PROCESS FOR THE PREPARATION OF 2-(PRIMARY/SECONDARY AMINO)HYDROCARBYL)- CARBAMOYL-7-OXO-2,6-DIAZA-BICYCLO[3.2.0.]HEPTANE-6-SULFONIC ACID DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2009-06-11 WO disclosed
WO-2008039420-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-04-03 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 (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-20130274503-A1 PROCESS FOR THE MANUFACTURE OF BRIDGED MONOBACTAM INTERMEDIATES COASY, ACMSD, BPGM KDM4E 2134/4885MAPT 1778/4885THRB 3775/4885
US-20150031662-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M KDM4E 1074/4885MAPT 3122/4885THRB 442/4885
US-20100009957-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, SI, MGAM2 KDM4E 2398/4885MAPT 4288/4885THRB 1179/4885
US-20160122320-A1 USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS MGAM, MGAM2, B2M KDM4E 1074/4885MAPT 3122/4885THRB 442/4885
US-20110178291-A1 Process for the manufacture of bridged monobactam intermediates C1S, CCNB1, C9 KDM4E 1891/4885MAPT 2491/4885THRB 3939/4885
US-20100305315-A1 Process for the preparation of 2-(primary/secondary amino)hydrocarbyl)-carbamoyl-7-oxo-2,6-diaza-bicyclo [3.2.0.]heptane-6-sulfonic acid derivatives C9, THOC2, ODC1 KDM4E 1729/4885MAPT 4205/4885THRB 750/4885
US-20100056478-A1 Useful Combinations of Monobactam Antibiotics With Beta-Lactamase Inhibitors MGAM, MGAM2, B2M KDM4E 1140/4885MAPT 3096/4885THRB 461/4885

“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.