SCHEMBL20568124

SCHEMBL20568124

CCc1cc(C(=O)OC)[nH]c1-c1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.48
SRC P12931 2/20 0.48
TRPA1 O75762 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 1/20 0.39
PDE7A Q13946 1/20 0.38
PDE3A Q14432 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
SCN9A Q15858 1/20 0.38
HTT P42858 1/20 0.37
NOTUM Q6P988 1/20 0.37

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
SCHEMBL20568698 0.80 GAA (0.49) ABL1SRCSMN1; SMN2KDM4ELMNA
SCHEMBL20569062 0.75 SMN1; SMN2 (0.37) ABL1SRCTRPA1SMN1; SMN2KDM4E
SCHEMBL20077898 0.71 CACNA1C (0.42) SMN1; SMN2KDM4ELMNAALDH1A1HPGD
SCHEMBL30396884 0.69 ABL1 (0.46) ABL1SRCKDM4EALDH1A1HPGD
SCHEMBL24190146 0.69 ABL1 (0.46) ABL1SRCKDM4EALDH1A1HPGD
SCHEMBL2024463 0.69 NR4A2 (0.47) SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL536675 0.69 NOTUM (0.51) KDM4ELMNAALDH1A1HTTNOTUM
SCHEMBL29575721 0.69 NR4A2 (0.47) SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL3343465 0.69 NOTUM (0.50) SMN1; SMN2ALDH1A1HPGDSCN9ANOTUM
SCHEMBL536245 0.68 TRPA1 (0.49) TRPA1SMN1; SMN2KDM4EPDE7APDE3A

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 ABL1 196/4885SRC 4166/4885TRPA1 4502/4885
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, ALPI ABL1 196/4885SRC 4166/4885TRPA1 4502/4885

“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.