SCHEMBL20530666

SCHEMBL20530666

COC(=O)c1cccc(-c2c(CNC(=O)OCC3c4ccccc4-c4ccccc43)cccc2C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.41
EPHX2 P34913 3/20 0.41
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 1/20 0.40
PDK2 Q15119 1/20 0.39
KMT2A Q03164 2/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
DGAT2 Q96PD7 3/20 0.39
MGAT2 Q10469 1/20 0.38
P2RX7 Q99572 2/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL20530670 0.86 EPHX2 (0.46) EPHX2KMT2ADGAT2MGAT2
SCHEMBL29639579 0.86 EPHX2 (0.41) EPHX2NR1H2NR1H3KMT2AP2RX7
SCHEMBL20530632 0.85 EPHX2 (0.40) EPHX2KMT2AP2RX7KDM4ELMNA
SCHEMBL30466820 0.85 EPHX2 (0.40) EPHX2KMT2AP2RX7KDM4ELMNA
SCHEMBL20530650 0.78 KMT2A (0.47) EPHX2KMT2AP2RX7KDM4ELMNA
SCHEMBL3064762 0.78 EPHX2 (0.49) EPHX2KMT2AROCK2ROCK1
SCHEMBL20530664 0.77 RBP4 (0.42) RBP4EPHX2NR1H2NR1H3PDK2
SCHEMBL28330792 0.76 KMT2A (0.49) EPHX2KMT2A
SCHEMBL29639583 0.73 EPHX1 (0.43) EPHX2KMT2A
SCHEMBL21677939 0.73 EPHX2 (0.42) 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 RBP4 1141/4885EPHX2 3891/4885NR1H2 214/4885
US-20200040032-A1 PEPTIDE MACROCYCLES AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS VIP, NPY5R, CXCR3 RBP4 1141/4885EPHX2 3891/4885NR1H2 214/4885

“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.