SCHEMBL3053229

SCHEMBL3053229

C=CCONC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CTSK P43235 5/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 2/20 0.35
CA12 O43570 2/20 0.34
CA14 Q9ULX7 2/20 0.34
APLNR P35414 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33

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
SCHEMBL24728966 0.82 CTSK (0.40) TDP1CA1CA2CA7CTSK
SCHEMBL19176991 0.81 KMT2A (0.43) SMN1; SMN2CA1CA2CA7CTSK
SCHEMBL19199250 0.81 KMT2A (0.43) SMN1; SMN2CA1CA2CA7CTSK
SCHEMBL13801528 0.78 TDP1 (0.46) SMN1; SMN2TDP1CA1CA2MAOA
SCHEMBL18756274 0.76 SMN1; SMN2 (0.46) SMN1; SMN2TDP1CA1CA2CA7
SCHEMBL9108340 0.75 CA1 (0.42) TDP1CA1CA2CA7CTSK
SCHEMBL28198217 0.75 MAPT (0.46) TDP1MEN1GAAKMT2AMAPT
SCHEMBL2364872 0.74 GAA (0.38) SMN1; SMN2GAAKMT2AMAPTALDH1A1
SCHEMBL13357351 0.74 TDP1 (0.40) TDP1CA1CA2CA7CTSK
SCHEMBL28634720 0.73 ALDH1A1 (0.36) MAPTALDH1A1CACNA1BAPBA1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8889694-B2 N-alkoxyamides of 6-(substituted phenyl)-4-aminopicolinates and 2-(substituted phenyl)-6-amino-4-pyrimidinecarboxylates and their use as selective herbicides for crops DOW AGROSCIENCES, LLC. (US) 2014-11-18 US disclosed
US-8889694-B2 N-alkoxyamides of 6-(substituted phenyl)-4-aminopicolinates and 2-(substituted phenyl)-6-amino-4-pyrimidinecarboxylates and their use as selective herbicides for crops DOW AGROSCIENCES, LLC. (US) 2014-11-18 US disclosed
EP-2421832-B1 N-ALKOXYAMIDES OF 6-(SUBSTITUTED PHENYL)-4-AMINOPICOLINATES AND 2-(SUBSTITUTED PHENYL)-6-AMINO-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS SELECTIVE HERBICIDES FOR CROPS DOW AGROSCIENCES LLC (US) 2013-12-18 EP disclosed
US-20130324412-A1 N-ALKOXYAMIDES OF 6-(SUBSTITUTED PHENYL)-4-AMINOPICOLINATES AND 2-(SUBSTITUTED PHENYL)-6-AMINO-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS SELECTIVE HERBICIDES FOR CROPS DOW AGROSCIENCES LLC (US) 2013-12-05 US disclosed
WO-2002017912-A1 ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 2002-03-07 WO disclosed
US-6316491-B1 INHIBITORS OF TYROSINE KINASE USED AS ANTITUMOR OR IMMUNOSUPPRESSION AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-11-13 US disclosed
US-20010027208-A1 Radicicol derivatives INO YOJI (JP) 2001-10-04 US disclosed
US-6239168-B1 ANTITUMOR AGENTS, IMMUNOSUPPRESSANTS; TYROSINE KINASE INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-05-29 US disclosed
US-6162927-A Endothelin antagonists ABBOTT LABORATORIES (US) 2000-12-19 US disclosed
EP-1003740-A2 PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGOISTS Abbott Laboratories (US) 2000-05-31 EP disclosed
WO-1999006397-A2 PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1999-02-11 WO disclosed
EP-0889042-A1 RADICICOL DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-01-07 EP disclosed
EP-0885215-A1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 1998-12-23 EP disclosed
WO-1997030045-A1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1997-08-21 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-20130324412-A1 N-ALKOXYAMIDES OF 6-(SUBSTITUTED PHENYL)-4-AMINOPICOLINATES AND 2-(SUBSTITUTED PHENYL)-6-AMINO-4-PYRIMIDINECARBOXYLATES AND THEIR USE AS SELECTIVE HERBICIDES FOR CROPS NPEPPS, DNPEP, HASPIN SMN1; SMN2 2484/4885TDP1 2685/4885CA1 1898/4885
US-20160175290-A1 BETA-LACTAMASE INHIBITOR COMPOUNDS LCT, MGAM, SI SMN1; SMN2 3400/4885TDP1 2750/4885CA1 438/4885
US-20010027208-A1 Radicicol derivatives ROS1, LYN, SRC SMN1; SMN2 4386/4885TDP1 1258/4885CA1 3589/4885
US-20150073011-A1 Beta-Lactamase Inhibitor Compounds LCT, MGAM, SI SMN1; SMN2 3400/4885TDP1 2750/4885CA1 438/4885

“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.