SCHEMBL20530627

SCHEMBL20530627

O=C(NCc1ccccc1-c1cccc(CO)c1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
KMT2A Q03164 2/20 0.47
CHRM3 P20309 2/20 0.45
EPHX1 P07099 2/20 0.43
FABP7 O15540 1/20 0.40
FABP3 P05413 1/20 0.40
FABP5 Q01469 1/20 0.40
ENPP2 Q13822 1/20 0.40
OPRD1 P41143 1/20 0.39
MDM4 O15151 1/20 0.39
TP53 P04637 1/20 0.39
CHRM1 P11229 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
SCHEMBL29639572 0.90 EPHX2 (0.43) EPHX2KMT2ACHRM3EPHX1OPRD1
SCHEMBL20530629 0.90 CHRM3 (0.45) EPHX2KMT2ACHRM3EPHX1
SCHEMBL20530645 0.88 CHRM3 (0.44) EPHX2KMT2ACHRM3EPHX1
SCHEMBL29639583 0.88 EPHX1 (0.43) EPHX2KMT2ACHRM3EPHX1OPRD1
SCHEMBL20530673 0.88 KMT2A (0.42) EPHX2KMT2ACHRM3OPRD1
SCHEMBL20530641 0.88 PTGDR2 (0.45) EPHX2KMT2ACHRM3OPRD1
SCHEMBL18688054 0.86 EPHX2 (0.53) EPHX2KMT2ACHRM3EPHX1FABP7
SCHEMBL20530618 0.85 EPHX2 (0.44) EPHX2KMT2ACHRM3EPHX1FABP7
SCHEMBL29639579 0.85 EPHX2 (0.41) EPHX2KMT2ACHRM3EPHX1OPRD1
SCHEMBL28330792 0.85 KMT2A (0.49) EPHX2KMT2ACHRM3EPHX1FABP7

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 4691/4885CHRM3 415/4885
US-20200040032-A1 PEPTIDE MACROCYCLES AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS VIP, NPY5R, CXCR3 EPHX2 3891/4885KMT2A 4691/4885CHRM3 415/4885

“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.