SCHEMBL20568331

SCHEMBL20568331

Cc1c(-c2cccc(C(=O)C(F)(F)F)c2)[nH]c(C(=O)O)c1-c1cc(Cl)cc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
GPR35 Q9HC97 3/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ACHE P22303 2/20 0.39
PIN1 Q13526 1/20 0.38
MAP2 P11137 1/20 0.37
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.36
CES1 P23141 1/20 0.36
RPA1 P27694 1/20 0.35
MCL1 Q07820 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 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
SCHEMBL29750742 1.00 RXRA (0.45) RXRARXRBGPR35HDAC1HDAC6
SCHEMBL20568989 0.91 RPA1 (0.43) GPR35HDAC1HDAC6ACHEPIN1
SCHEMBL20568071 0.82 MAP2 (0.49) RXRARXRBGPR35PIN1MAP2
SCHEMBL23327330 0.80 GPR35 (0.38) GPR35PIN1MAP2CNR1CNR2
SCHEMBL29750732 0.80 GPR35 (0.38) GPR35PIN1MAP2CNR1CNR2
SCHEMBL29750758 0.78 RXRA (0.42) RXRARXRBHDAC1HDAC6ACHE
SCHEMBL20567964 0.72 MAP2 (0.51) MAP2CNR1CNR2
SCHEMBL20568215 0.70 RPA1 (0.41) RXRARXRBGPR35PIN1MAP2
SCHEMBL20568162 0.70 LMNA (0.45) MAP2CNR2KDM4EMEN1ALDH1A1
SCHEMBL29750702 0.70 CES1 (0.46) HDAC1HDAC6ACHECES1HTT

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 9 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

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 RXRA 4771/4885RXRB 4573/4885GPR35 4527/4885
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, ALPI RXRA 4771/4885RXRB 4573/4885GPR35 4527/4885

“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.