SCHEMBL20569319

SCHEMBL20569319

CCOC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.70
ALDH1A1 P00352 3/20 0.64
TSHR P16473 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
EHMT2 Q96KQ7 9/20 0.50
LMNA P02545 3/20 0.50
POLB P06746 2/20 0.50
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.48
ESR1 P03372 1/20 0.48
PKM P14618 1/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
MCL1 Q07820 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.46

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
SCHEMBL7661221 0.86 MAPK1 (0.53) MAPK1ALDH1A1TSHRNPSR1EHMT2
SCHEMBL23448619 0.84 MAPK1 (0.57) MAPK1ALDH1A1TSHRNPSR1EHMT2
SCHEMBL20567835 0.81 MAPK1 (0.66) MAPK1ALDH1A1TSHRNPSR1EHMT2
SCHEMBL15328926 0.79 BRD4 (0.64) MAPK1ALDH1A1TSHRNPSR1LMNA
SCHEMBL7052350 0.77 TSHR (0.74) MAPK1ALDH1A1TSHRNPSR1EHMT2
SCHEMBL20568606 0.74 CYP1A2 (0.45) MAPK1ALDH1A1TSHRNPSR1LMNA
SCHEMBL13083617 0.72 CYP1A2 (0.50) MAPK1ALDH1A1TSHRNPSR1LMNA
SCHEMBL15331605 0.72 ALDH1A1 (0.44) MAPK1ALDH1A1TSHRLMNAPOLB
SCHEMBL5004730 0.72 MAPK1 (0.54) MAPK1ALDH1A1TSHRNPSR1EHMT2
SCHEMBL7661193 0.71 EHMT2 (0.52) MAPK1ALDH1A1TSHRNPSR1EHMT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11413272-B2 Inhibitors of metallo-beta-lactamases OXFORD UNIVERSITY INNOVATION LIMITED 2022-08-16 US disclosed
EP-3630728-B1 INHIBITORS OF METALLO-BETA-LACTAMASES UNIV OXFORD INNOVATION LTD (GB) 2022-07-27 EP disclosed
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 US disclosed
EP-3630728-A1 INHIBITORS OF METALLO-BETA-LACTAMASES Oxford University Innovation Limited (GB) 2020-04-08 EP disclosed
WO-2018215799-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2018-11-29 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 (2 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-11413272-B2 Inhibitors of metallo-beta-lactamases MGAM, GAA, ALPI MAPK1 2544/4885ALDH1A1 210/4885TSHR 4071/4885
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, ALPI MAPK1 2544/4885ALDH1A1 210/4885TSHR 4071/4885

“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.