SCHEMBL2507611

SCHEMBL2507611

C=CC(CO[Si](C)(C)C(C)(C)C)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.36
▸ CASP3 P42574 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ LMNA P02545 2/20 0.32
▸ USP2 O75604 1/20 0.32
▸ DUT P33316 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ DNMT1 P26358 3/20 0.32
▸ GAA P10253 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
SCHEMBL15320020 1.00 ALDH1A1 (0.36) ALDH1A1CASP3TDP1LMNAUSP2
SCHEMBL2507608 1.00 ALDH1A1 (0.36) ALDH1A1CASP3TDP1LMNAUSP2
SCHEMBL20040523 0.86 TDP1 (0.35) ALDH1A1TDP1LMNAUSP2DUT
SCHEMBL17591381 0.79 ALDH1A1 (0.42) ALDH1A1CASP3TDP1LMNANPSR1
SCHEMBL2321878 0.78 ALDH1A1 (0.34) ALDH1A1MAPT
SCHEMBL2511661 0.78 CDC25A (0.34) ALDH1A1
SCHEMBL2511664 0.78 CDC25A (0.34) ALDH1A1
SCHEMBL2321882 0.78 ALDH1A1 (0.34) ALDH1A1MAPT
SCHEMBL2511659 0.78 CDC25A (0.34) ALDH1A1
SCHEMBL2510637 0.78 ALDH1A1 (0.34) ALDH1A1MAPT

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
CN-111196808-B Diazabicyclo compounds and their use 南京圣和药业股份有限公司 2022-10-18 — — CN disclosed
EP-3512851-B1 BETA-LACTAMASE INHIBITOR COMPOUNDS ENTASIS THERAPEUTICS LTD (GB) 2022-07-06 — — EP disclosed
CN-114591223-A Beta-lactamase inhibitor compounds 恩塔西斯治疗有限公司 2022-06-07 — — CN disclosed
CN-109715630-B Beta-lactamase inhibitor compounds 恩塔西斯治疗有限公司 2022-02-22 — — CN disclosed
US-10800778-B2 Beta-lactamase inhibitor compounds ENTASIS THERAPEUTICS LIMITED (GB) 2020-10-13 — — US disclosed
CN-111196808-A Diazabicyclo compounds and their use 南京圣和药业股份有限公司 2020-05-26 — — CN 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
EP-2534140-B1 EFFICIENT METHODS FOR Z- OR CIS-SELECTIVE CROSS-METATHESIS TRUSTEES BOSTON COLLEGE (US) 2018-04-11 — — EP 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
US-8598400-B2 Efficient methods for Z- or cis-selective cross-metathesis MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-12-03 — — US disclosed
WO-2013150296-A1 HETEROBICYCLIC COMPOUNDS AS BETA-LACTAMASE INHIBITORS ASTRAZENECA AB (SE) 2013-10-10 — — WO disclosed
US-8552242-B2 — — 2013-10-08 — — US disclosed
US-20110245477-A1 EFFICIENT METHODS FOR Z- OR CIS-SELECTIVE CROSS-METATHESIS TRUSTEES OF BOSTON COLLEGE (US) 2011-10-06 — — 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 (5 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-20110245477-A1 EFFICIENT METHODS FOR Z- OR CIS-SELECTIVE CROSS-METATHESIS PAICS, COASY, CYP51A1 ALDH1A1 701/4885CASP3 1161/4885TDP1 3031/4885
US-20190202832-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS LCT, MGAM, MRPL21 ALDH1A1 214/4885CASP3 3962/4885TDP1 3302/4885
US-20160175290-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS LCT, MGAM, SI ALDH1A1 319/4885CASP3 3782/4885TDP1 2750/4885
US-10800778-B2 Beta-lactamase inhibitor compounds LCT, MGAM, MRPL21 ALDH1A1 214/4885CASP3 3962/4885TDP1 3302/4885
US-20150073011-A1 Beta-Lactamase Inhibitor Compounds LCT, MGAM, SI ALDH1A1 319/4885CASP3 3782/4885TDP1 2750/4885

“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.

Send feedback