SCHEMBL20568593

SCHEMBL20568593

COC(=O)c1cc(C)c(-c2ccco2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
AXL P30530 1/20 0.45
HPGD P15428 1/20 0.42
S1PR4 O95977 1/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41

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
SCHEMBL20569372 0.76 CYP1A2 (0.39) POLBKDM4EGAANR4A2CYP1A2
SCHEMBL20568733 0.76 GAA (0.51) AXLALDH1A1GAANR4A2CYP1A2
SCHEMBL20569038 0.72 MAPT (0.44) HPGDS1PR4POLBALDH1A1KDM4E
SCHEMBL645140 0.71 GAA (0.61) HSP90AA1HSP90AB1POLBGAARAB9A
SCHEMBL12484643 0.71 MAPT (0.54) POLBALDH1A1KDM4ENR4A2CYP1A2
SCHEMBL14995075 0.70 AXL (0.50) HSP90AA1HSP90AB1AXLHPGDPOLB
SCHEMBL6469660 0.70 LMNA (0.60) HSP90AA1HSP90AB1AXLPOLBALDH1A1
SCHEMBL6802319 0.69 CYP1A2 (0.53) HPGDPOLBKDM4EGAANR4A2
SCHEMBL15162261 0.69 HSP90AA1 (0.54) HSP90AA1HSP90AB1POLBALDH1A1KDM4E
SCHEMBL14995121 0.68 AXL (0.50) HSP90AA1HSP90AB1AXLHPGDPOLB

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 HSP90AA1 2381/4885HSP90AB1 1124/4885AXL 3569/4885
US-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, ALPI HSP90AA1 2381/4885HSP90AB1 1124/4885AXL 3569/4885

“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.