SCHEMBL20569372

SCHEMBL20569372

COC(=O)c1cc(C)c(-c2ccc(I)o2)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
XDH P47989 3/20 0.36
PSMB8 P28062 1/20 0.35
GLA P06280 2/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 2/20 0.35
NR4A2 P43354 3/20 0.34
ALPL P05186 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
ABL1 P00519 2/20 0.33
SRC P12931 2/20 0.33
MAPT P10636 2/20 0.33
CREBBP Q92793 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK1 P28482 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
SCHEMBL20569038 0.79 MAPT (0.44) CYP1A2CCNCCDK8KDM4ENR4A2
SCHEMBL20568593 0.76 HSP90AA1 (0.48) CYP1A2GAAKDM4ENR4A2KMT2A
SCHEMBL20568733 0.75 GAA (0.51) CYP1A2XDHGLAGAANR4A2
SCHEMBL12484643 0.72 MAPT (0.54) CYP1A2KDM4ENR4A2ALPLMAPT
SCHEMBL6802319 0.68 CYP1A2 (0.53) CYP1A2XDHGLAGAAKDM4E
SCHEMBL28618724 0.67 CYP1A2 (0.52) CYP1A2XDHGLAGAAKDM4E
SCHEMBL14488079 0.65 ALDH1A1 (0.43) CYP1A2XDHGLAGAAKDM4E
SCHEMBL27992898 0.65 MEN1 (0.59) CYP1A2GAAKDM4EMEN1CYP2C19
SCHEMBL8322220 0.64 GLA (0.45) CYP1A2XDHGLAGAAKDM4E
SCHEMBL20568447 0.63 RHEB (0.42) KDM4EKMT2AMAPTRAB9A

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 CYP1A2 131/4885CCNC 3165/4885CDK8 4056/4885
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, ALPI CYP1A2 131/4885CCNC 3165/4885CDK8 4056/4885

“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.