SCHEMBL20530670

SCHEMBL20530670

COC(=O)c1cccc(-c2ccccc2CNC(=O)OCC2c3ccccc3-c3ccccc32)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
KMT2A Q03164 2/20 0.45
DGAT2 Q96PD7 6/20 0.45
MGAT2 Q10469 1/20 0.45
FABP7 O15540 1/20 0.41
FABP3 P05413 1/20 0.41
FABP5 Q01469 1/20 0.41
EPHX1 P07099 1/20 0.39

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
SCHEMBL28330792 0.89 KMT2A (0.49) EPHX2KMT2AFABP7FABP3FABP5
SCHEMBL20530666 0.86 RBP4 (0.41) EPHX2KMT2ADGAT2MGAT2
SCHEMBL3064762 0.85 EPHX2 (0.49) EPHX2KMT2A
SCHEMBL20530627 0.83 EPHX2 (0.47) EPHX2KMT2AFABP7FABP3FABP5
SCHEMBL20530636 0.82 EPHX2 (0.47) EPHX2KMT2AFABP7FABP3FABP5
SCHEMBL30466803 0.82 EPHX2 (0.47) EPHX2KMT2AFABP7FABP3FABP5
SCHEMBL7920181 0.79 KMT2A (0.52) EPHX2KMT2AFABP7FABP3FABP5
SCHEMBL3416541 0.79 KCNA5 (0.49) DGAT2MGAT2
SCHEMBL20530669 0.79 KMT2A (0.45) EPHX2KMT2A
SCHEMBL12235823 0.78 EPHX2 (0.70) EPHX2KMT2A

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
EP-3609905-B1 PEPTIDE MACROCYCLES AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN LA ROCHE (CH) 2022-06-08 EP disclosed
US-11091514-B2 Peptide macrocycles and use thereof in the treatment of bacterial infections HOFFMANN-LA ROCHE INC. (US) 2021-08-17 US disclosed
EP-3609905-A1 PEPTIDE MACROCYCLES AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS H. Hoffnabb-La Roche Ag (CH) 2020-02-19 EP disclosed
US-20200040032-A1 PEPTIDE MACROCYCLES AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN-LA ROCHE INC. (US) 2020-02-06 US disclosed
WO-2018189063-A1 PEPTIDE MACROCYCLES AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2018-10-18 WO disclosed
EP-3388445-A1 PEPTIDE MACROCYCLES AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS F. Hoffmann-La Roche AG (CH) 2018-10-17 EP 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-11091514-B2 Peptide macrocycles and use thereof in the treatment of bacterial infections VIP, NPY5R, CXCR3 EPHX2 3891/4885KMT2A 4691/4885DGAT2 4879/4885
US-20200040032-A1 PEPTIDE MACROCYCLES AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS VIP, NPY5R, CXCR3 EPHX2 3891/4885KMT2A 4691/4885DGAT2 4879/4885

“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.