SCHEMBL20569062

SCHEMBL20569062

CCc1c(-c2ccccc2C(F)(F)F)[nH]c(C(=O)OC)c1I

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 4/20 0.36
KDM4E B2RXH2 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
ABL1 P00519 1/20 0.35
SRC P12931 1/20 0.35
LMNA P02545 2/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35
MAPT P10636 2/20 0.34
TRPA1 O75762 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
PDE7A Q13946 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL20568399 0.80 LMNA (0.41) SMN1; SMN2ALDH1A1HPGDKDM4ELMNA
SCHEMBL20568124 0.75 ABL1 (0.48) SMN1; SMN2ALDH1A1HPGDKDM4ETDP1
SCHEMBL20568466 0.73 STK10 (0.34) ABL1SRCLMNAHTTGAA
SCHEMBL20568152 0.72 RAB9A (0.42) SMN1; SMN2ALDH1A1HPGDKDM4ELMNA
SCHEMBL27273620 0.67 CTSS (0.45) ALDH1A1HPGDKDM4ETDP1LMNA
SCHEMBL29575721 0.67 NR4A2 (0.47) SMN1; SMN2ALDH1A1HPGDKDM4ECACNA1C
SCHEMBL2024463 0.67 NR4A2 (0.47) SMN1; SMN2ALDH1A1HPGDKDM4ECACNA1C
SCHEMBL25381654 0.65 CFTR (0.47) SMN1; SMN2ALDH1A1HPGDCFTR
SCHEMBL20568130 0.65 LMNA (0.48) SMN1; SMN2ALDH1A1KDM4ELMNAMAPT
SCHEMBL24746390 0.64 KDM4E (0.44) SMN1; SMN2ALDH1A1HPGDKDM4ETDP1

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 SMN1; SMN2 2668/4885ALDH1A1 210/4885HPGD 372/4885
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, ALPI SMN1; SMN2 2668/4885ALDH1A1 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.