SCHEMBL20568464

SCHEMBL20568464

CC1CCCc2c1[nH]c(C(=O)O)c2-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.46
RPA1 P27694 1/20 0.44
MCL1 Q07820 1/20 0.44
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
HRH3 Q9Y5N1 2/20 0.41
HRH2 P25021 1/20 0.41
HTT P42858 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR35 Q9HC97 1/20 0.39
MAP2 P11137 1/20 0.37
MYC P01106 1/20 0.36
SIRT1 Q96EB6 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
BRD4 O60885 1/20 0.35
FBP1 P09467 1/20 0.35

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
SCHEMBL20568707 0.84 ALDH1A1 (0.47) PDE9AKDM4EALDH1A1HPGDHTT
SCHEMBL23348045 0.78 PDE9A (0.44) PDE9AHPGDHRH3HRH2HSD17B10
SCHEMBL20568603 0.74 KDM4E (0.49) RPA1MCL1KDM4EALDH1A1HPGD
SCHEMBL20568111 0.70 MCL1 (0.44) RPA1MCL1KDM4EALDH1A1HPGD
SCHEMBL8157761 0.67 HCAR2 (0.49) MCL1KDM4EALDH1A1HPGDHTT
SCHEMBL12777390 0.67 HCAR2 (0.49) MCL1KDM4EALDH1A1HPGDHTT
SCHEMBL8153470 0.67 HCAR2 (0.49) HCAR2
SCHEMBL29750725 0.67 HRH3 (0.43) PDE9AALDH1A1HPGDHRH3HRH2
SCHEMBL8153554 0.66 HCAR2 (0.47) HCAR2
SCHEMBL7088610 0.66 BRD3 (0.67) HSD17B10MEN1KMT2ASIRT1SIRT2

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 11 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 claimed
EP-3630728-B1 INHIBITORS OF METALLO-BETA-LACTAMASES UNIV OXFORD INNOVATION LTD (GB) 2022-07-27 EP claimed
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 US claimed
EP-3630728-A1 INHIBITORS OF METALLO-BETA-LACTAMASES Oxford University Innovation Limited (GB) 2020-04-08 EP claimed
WO-2018215799-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2018-11-29 WO claimed
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
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 PDE9A 1910/4885RPA1 4006/4885MCL1 1024/4885
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, ALPI PDE9A 1910/4885RPA1 4006/4885MCL1 1024/4885

“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.