SCHEMBL20568482

SCHEMBL20568482

CCc1c(-c2ccccc2)[nH]c(C(=O)O)c1-c1ccc(CS(C)(=O)=O)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.36
MAP2 P11137 1/20 0.35
PPARG P37231 1/20 0.34
GRIN1 Q05586 3/20 0.34
PTGS2 P35354 2/20 0.33
MCL1 Q07820 1/20 0.33
SCN9A Q15858 1/20 0.33
GPR35 Q9HC97 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGS1 P23219 1/20 0.32
MAPT P10636 1/20 0.32
CNR1 P21554 1/20 0.32
GPR17 Q13304 1/20 0.32

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
SCHEMBL20569068 0.90 PDE3B (0.35) PTGS2MCL1SCN9AKDM4EALDH1A1
SCHEMBL23327335 0.86 STK10 (0.34) PPARGSCN9AFABP4
SCHEMBL23348208 0.85 BRAF (0.38) BRAFPTGS2SCN9AMEN1KMT2A
SCHEMBL30794689 0.80 KDM4E (0.53) MAP2MCL1GPR35KDM4EMEN1
SCHEMBL20569058 0.78 MAP2 (0.46) MAP2PPARGGRIN1GPR35KDM4E
SCHEMBL3345001 0.78 KDM4E (0.49) MAP2PPARGMCL1GPR35KDM4E
SCHEMBL20568466 0.76 STK10 (0.34) MCL1SCN9AHTT
SCHEMBL29750710 0.76 SCN9A (0.35) BRAFPTGS2SCN9A
SCHEMBL23327628 0.74 NEK1 (0.38) MAP2SCN9AGPR35KDM4EMEN1
SCHEMBL20568345 0.74 NEK1 (0.39) MAP2GRIN1GPR35GPR17

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 6 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
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 BRAF 3848/4885MAP2 2165/4885PPARG 3605/4885
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, ALPI BRAF 3848/4885MAP2 2165/4885PPARG 3605/4885

“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.