SCHEMBL15318917

SCHEMBL15318917

CC(C)(C)OC(=O)N1C([C@H](O)C2CC2)COC1(C)C

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.44
BRD4 O60885 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
RECQL P46063 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD11B2 P80365 1/20 0.32
HCRTR2 O43614 1/20 0.31
HPGD P15428 1/20 0.31
DDB1 Q16531 2/20 0.30
CRBN Q96SW2 2/20 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
SCHEMBL15318915 1.00 SPHK1 (0.44) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL15318918 1.00 SPHK1 (0.44) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL31228312 0.86 SPHK1 (0.44) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL30669036 0.85 SPHK1 (0.46) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL16553345 0.85 SPHK1 (0.46) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL15336587 0.85 SPHK1 (0.46) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL16553346 0.85 SPHK1 (0.46) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL31228226 0.83 SPHK1 (0.44) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL18878400 0.83 SPHK1 (0.50) SPHK1BRD4CHRM2CHRM1CHRM3
SCHEMBL12396343 0.83 SPHK1 (0.50) SPHK1BRD4CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512851-B1 BETA-LACTAMASE INHIBITOR COMPOUNDS ENTASIS THERAPEUTICS LTD (GB) 2022-07-06 EP disclosed
US-10800778-B2 Beta-lactamase inhibitor compounds ENTASIS THERAPEUTICS LIMITED (GB) 2020-10-13 US disclosed
EP-3512851-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS Entasis Therapeutics Limited (GB) 2019-07-24 EP disclosed
US-20190202832-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS ENTASIS THERAPEUTICS LIMITED (GB) 2019-07-04 US disclosed
WO-2018053215-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS ENTASIS THERAPEUTICS LIMITED (GB) 2018-03-22 WO disclosed
EP-2834239-B1 HETEROBICYCLIC COMPOUNDS AS BETA-LACTAMASE INHIBITORS ENTASIS THERAPEUTICS LTD (GB) 2017-12-27 EP disclosed
US-9623014-B2 β-lactamase inhibitor compounds ENTASIS THERAPEUTICS LIMITED (GB) 2017-04-18 US disclosed
US-20160175290-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS ASTRAZENECA PHARMACEUTICALS LP 2016-06-23 US disclosed
US-9309245-B2 Beta-lactamase inhibitor compounds ENTASIS THERAPEUTICS LIMITED (GB) 2016-04-12 US disclosed
US-20150073011-A1 Beta-Lactamase Inhibitor Compounds ASTRAZENECA AB (SE) 2015-03-12 US disclosed
EP-2834239-A1 HETEROBICYCLIC COMPOUNDS AS BETA-LACTAMASE INHIBITORS Astrazeneca AB (SE) 2015-02-11 EP disclosed
WO-2013150296-A1 HETEROBICYCLIC COMPOUNDS AS BETA-LACTAMASE INHIBITORS ASTRAZENECA AB (SE) 2013-10-10 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 (4 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-20190202832-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS LCT, MGAM, MRPL21 SPHK1 2338/4885BRD4 1976/4885CHRM2 2308/4885
US-20160175290-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS LCT, MGAM, SI SPHK1 1650/4885BRD4 2949/4885CHRM2 1613/4885
US-10800778-B2 Beta-lactamase inhibitor compounds LCT, MGAM, MRPL21 SPHK1 2338/4885BRD4 1976/4885CHRM2 2308/4885
US-20150073011-A1 Beta-Lactamase Inhibitor Compounds LCT, MGAM, SI SPHK1 1650/4885BRD4 2949/4885CHRM2 1613/4885

“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.