SCHEMBL20530648

SCHEMBL20530648

O=Cc1cccc(-c2cc(C(F)(F)F)ccc2CNC(=O)OCC2c3ccccc3-c3ccccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
MDM2 Q00987 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.39
ATM Q13315 1/20 0.39
TRPV1 Q8NER1 3/20 0.36
CHRM3 P20309 2/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
PPIA P62937 1/20 0.35
NAT1 P18440 1/20 0.35
MGLL Q99685 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
SCHEMBL30466808 1.00 EPHX2 (0.40) EPHX2MDM2KMT2AMEN1ATM
SCHEMBL20530646 0.93 PTGDR2 (0.41) EPHX2MDM2KMT2AMEN1ATM
SCHEMBL30466807 0.93 PTGDR2 (0.41) EPHX2MDM2KMT2AMEN1ATM
SCHEMBL20530636 0.88 EPHX2 (0.47) EPHX2KMT2ACHRM3
SCHEMBL30466803 0.88 EPHX2 (0.47) EPHX2KMT2ACHRM3
SCHEMBL20530673 0.86 KMT2A (0.42) EPHX2MDM2KMT2AMEN1ATM
SCHEMBL30466820 0.84 EPHX2 (0.40) EPHX2MDM2KMT2A
SCHEMBL20530632 0.84 EPHX2 (0.40) EPHX2MDM2KMT2A
SCHEMBL24489709 0.83 MEN1 (0.37) EPHX2MDM2KMT2AMEN1ATM
SCHEMBL20530658 0.81 EPHX2 (0.42) EPHX2KMT2ACHRM3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110494442-B Peptide macrocycles and their use in the treatment of bacterial infections 豪夫迈·罗氏有限公司 2023-07-25 CN disclosed
EP-3609905-B1 PEPTIDE MACROCYCLES AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN LA ROCHE (CH) 2022-06-08 EP disclosed
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
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
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 3891/4885MDM2 4531/4885KMT2A 4691/4885
US-20200040032-A1 PEPTIDE MACROCYCLES AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS VIP, NPY5R, CXCR3 EPHX2 3891/4885MDM2 4531/4885KMT2A 4691/4885

“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.