SCHEMBL20568989

SCHEMBL20568989

Cc1c(-c2cccc(C(=O)C(F)(F)F)c2)[nH]c(C(=O)O)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.43
MCL1 Q07820 1/20 0.43
CES1 P23141 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ACHE P22303 2/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
GPR35 Q9HC97 2/20 0.40
MAP2 P11137 1/20 0.37
KMO O15229 1/20 0.37
PIN1 Q13526 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL20568331 0.91 RXRA (0.45) RPA1MCL1CES1KDM4EALDH1A1
SCHEMBL29750742 0.91 RXRA (0.45) RPA1MCL1CES1KDM4EALDH1A1
SCHEMBL20568215 0.79 RPA1 (0.41) RPA1MCL1KDM4EALDH1A1HPGD
SCHEMBL20570013 0.76 KDM4E (0.52) RPA1MCL1KDM4EALDH1A1HPGD
SCHEMBL29750702 0.76 CES1 (0.46) CES1HTTACHEHDAC1HDAC6
SCHEMBL20568605 0.73 ESR1 (0.49) RPA1MCL1KDM4EALDH1A1HPGD
SCHEMBL20568349 0.72 RPA1 (0.47) RPA1MCL1KDM4EALDH1A1HPGD
SCHEMBL20568071 0.72 MAP2 (0.49) RPA1MCL1KDM4EALDH1A1HPGD
SCHEMBL23327330 0.72 GPR35 (0.38) RPA1MCL1KDM4EALDH1A1HPGD
SCHEMBL29750732 0.72 GPR35 (0.38) RPA1MCL1KDM4EALDH1A1HPGD

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 RPA1 4006/4885MCL1 1024/4885CES1 110/4885
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, ALPI RPA1 4006/4885MCL1 1024/4885CES1 110/4885

“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.