SCHEMBL20568162

SCHEMBL20568162

COC(=O)c1[nH]c(-c2ccccc2)c(C)c1-c1cc(Cl)cc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
XBP1 P17861 1/20 0.44
CYP2C19 P33261 1/20 0.44
PLA2G2A P14555 1/20 0.42
RAB9A P51151 3/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 3/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CSF1R P07333 1/20 0.39

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
SCHEMBL20568071 0.86 MAP2 (0.49) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL20567964 0.84 MAP2 (0.51) CCNCCDK8SMN1; SMN2CNR2MAP2
SCHEMBL20567844 0.84 ALDH1A1 (0.44) LMNAALDH1A1HPGDCYP1A2XBP1
SCHEMBL20568351 0.83 LMNA (0.49) LMNAALDH1A1HPGDRAB9ACCNC
SCHEMBL14025830 0.82 LMNA (0.48) LMNAALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL23327435 0.79 LMNA (0.48) LMNAALDH1A1RAB9ACCNCCDK8
SCHEMBL20568130 0.77 LMNA (0.48) LMNAALDH1A1RAB9ACCNCCDK8
SCHEMBL11615949 0.75 ALDH1A1 (0.50) ALDH1A1HPGDCYP1A2XBP1CYP2C19
SCHEMBL24744383 0.73 KDM4E (0.42) LMNAALDH1A1HPGDRAB9ACCNC
SCHEMBL1437660 0.73 SLC6A3 (0.39) LMNAALDH1A1HPGDCYP1A2XBP1

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 LMNA 1457/4885ALDH1A1 210/4885HPGD 372/4885
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, ALPI LMNA 1457/4885ALDH1A1 210/4885HPGD 372/4885

“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.