SCHEMBL20530669

SCHEMBL20530669

COC(=O)c1cccc(-c2ccccc2CNC(=O)OCC2c3ccccc3-c3ccccc32)c1F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
EPHX2 P34913 1/20 0.43
KCNA5 P22460 5/20 0.41
ADORA2A P29274 1/20 0.39
PPIA P62937 1/20 0.38
CASP3 P42574 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL20530633 0.85 KMT2A (0.48) KMT2AEPHX2KCNA5PPIACASP3
SCHEMBL20530654 0.82 KMT2A (0.46) KMT2AEPHX2KCNA5PPIACASP3
SCHEMBL30466812 0.82 KMT2A (0.46) KMT2AEPHX2KCNA5PPIACASP3
SCHEMBL20530670 0.79 EPHX2 (0.46) KMT2AEPHX2
SCHEMBL30421786 0.79 KMT2A (0.56) KMT2AEPHX2KCNA5CASP3
SCHEMBL119384 0.79 KMT2A (0.56) KMT2AEPHX2KCNA5CASP3
SCHEMBL525568 0.78 KMT2A (0.58) KMT2AEPHX2KCNA5CASP3
SCHEMBL18687752 0.76 KMT2A (0.55) KMT2AEPHX2PPIACASP3
SCHEMBL29097418 0.75 KMT2A (0.59) KMT2AEPHX2PPIACASP3
SCHEMBL2744610 0.75 KMT2A (0.54) KMT2AEPHX2CASP3

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 KMT2A 4691/4885EPHX2 3891/4885KCNA5 1939/4885
US-20200040032-A1 PEPTIDE MACROCYCLES AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS VIP, NPY5R, CXCR3 KMT2A 4691/4885EPHX2 3891/4885KCNA5 1939/4885

“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.