SCHEMBL21677939

SCHEMBL21677939

Cc1cccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)c1-c1cccc(C=O)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
KMT2A Q03164 2/20 0.42
EPHX1 P07099 2/20 0.39
CASP3 P42574 2/20 0.37
KCNA5 P22460 1/20 0.37
MDM4 O15151 1/20 0.35
TP53 P04637 1/20 0.35
FABP7 O15540 1/20 0.35
FABP5 Q01469 1/20 0.35

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
SCHEMBL29639589 1.00 EPHX2 (0.42) EPHX2KMT2AEPHX1CASP3KCNA5
SCHEMBL30466803 0.88 EPHX2 (0.47) EPHX2KMT2AEPHX1CASP3MDM4
SCHEMBL20530636 0.88 EPHX2 (0.47) EPHX2KMT2AEPHX1CASP3MDM4
SCHEMBL20530632 0.86 EPHX2 (0.40) EPHX2KMT2ACASP3MDM4TP53
SCHEMBL30466820 0.86 EPHX2 (0.40) EPHX2KMT2ACASP3MDM4TP53
SCHEMBL29639583 0.86 EPHX1 (0.43) EPHX2KMT2AEPHX1CASP3KCNA5
SCHEMBL20530637 0.85 EPHX2 (0.42) EPHX2KMT2AEPHX1CASP3MDM4
SCHEMBL30466801 0.85 EPHX2 (0.42) EPHX2KMT2AEPHX1CASP3MDM4
SCHEMBL2745029 0.82 EPHX2 (0.47) EPHX2KMT2AEPHX1CASP3MDM4
SCHEMBL20530643 0.81 MTNR1A (0.42) EPHX2KMT2ACASP3MDM4TP53

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 3 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
US-20200040032-A1 PEPTIDE MACROCYCLES AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN-LA ROCHE INC. (US) 2020-02-06 US 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 4691/4885EPHX1 4139/4885
US-20200040032-A1 PEPTIDE MACROCYCLES AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS VIP, NPY5R, CXCR3 EPHX2 3891/4885KMT2A 4691/4885EPHX1 4139/4885

“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.