SCHEMBL16095503

SCHEMBL16095503

CC(C)(C)OC(=O)NC1CCNCC1C(N)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.35
GAA P10253 2/20 0.34
EPHX2 P34913 1/20 0.33
SSTR4 P31391 5/20 0.33
SSTR1 P30872 3/20 0.33
KDM1A O60341 2/20 0.33
CTSK P43235 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
MAOB P27338 1/20 0.32
EPHX1 P07099 1/20 0.31

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
SCHEMBL16095512 0.82 BTK (0.42) BTKGAAEPHX2SSTR4SSTR1
SCHEMBL4364904 0.78 BTK (0.42) BTKGAAEPHX2SSTR4SSTR1
SCHEMBL4359773 0.78 BTK (0.42) BTKGAAEPHX2SSTR4SSTR1
SCHEMBL4359769 0.78 BTK (0.42) BTKGAAEPHX2SSTR4SSTR1
SCHEMBL14923688 0.78 BTK (0.42) BTKGAAEPHX2SSTR4SSTR1
SCHEMBL4364906 0.78 BTK (0.42) BTKGAAEPHX2SSTR4SSTR1
SCHEMBL4369929 0.78 SSTR4 (0.49) BTKGAAEPHX2SSTR4SSTR1
SCHEMBL4365082 0.78 SSTR4 (0.49) BTKGAAEPHX2SSTR4SSTR1
SCHEMBL4365093 0.78 SSTR4 (0.49) BTKGAAEPHX2SSTR4SSTR1
SCHEMBL4369925 0.78 SSTR4 (0.49) BTKGAAEPHX2SSTR4SSTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970340-B1 BETA-LACTAMASE INHIBITORS VENATORX PHARMACEUTICALS INC (US) 2020-02-12 EP disclosed
US-10294248-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2019-05-21 US disclosed
US-20180273552-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2018-09-27 US disclosed
US-9944658-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2018-04-17 US disclosed
US-20160024121-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. 2016-01-28 US disclosed
EP-2970340-A1 BETA-LACTAMASE INHIBITORS Venatorx Pharmaceuticals Inc (US) 2016-01-20 EP disclosed
WO-2014151958-A1 BETA-LACTAMASE INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2014-09-25 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-20180273552-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT BTK 524/4885GAA 2/4885EPHX2 2331/4885
US-10294248-B2 Beta-lactamase inhibitors MGAM, GAA, LCT BTK 524/4885GAA 2/4885EPHX2 2331/4885
US-20160024121-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT BTK 524/4885GAA 2/4885EPHX2 2331/4885

“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.