SCHEMBL4204236

SCHEMBL4204236

O=C(O)NCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.32
PSMB5 P28074 1/20 0.32
MGLL Q99685 2/20 0.31
ALDH1A1 P00352 1/20 0.30
PKM P14618 1/20 0.30
ALOX12 P18054 1/20 0.30
PARL Q9H300 1/20 0.30

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
SCHEMBL27324540 0.85 MGLL (0.30) MGLL
SCHEMBL12568580 0.85 RECQL (0.33) MGLLALDH1A1
SCHEMBL16418492 0.84
SCHEMBL2615822 0.84 NPSR1 (0.34)
SCHEMBL18913815 0.82 SMN1; SMN2 (0.35) ALDH1A1PKM
SCHEMBL5499536 0.82 PSMB8 (0.35) PSMB8PSMB5MGLL
SCHEMBL2099451 0.81 ALDH1A1 (0.37) ALDH1A1
SCHEMBL28291104 0.81
SCHEMBL2760653 0.81 RECQL (0.31)
SCHEMBL18395911 0.81 PREP (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012054-A1 Cephem Compounds and Use as Antimicrobial Agents ASTELLAS PHARMA INC. (JP) 2009-01-08 US disclosed
EP-1994035-A1 CEPHEM COMPOUNDS AND USE AS ANTIMICROBIAL AGENTS Astellas Pharma Inc. (JP) 2008-11-26 EP disclosed
WO-2007119511-A1 CEPHEM COMPOUNDS AND USE AS ANTIMICROBIAL AGENTS ASTELLAS PHARMA INC. (JP) 2007-10-25 WO disclosed
US-7265120-B2 Pyrazine derivatives and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2007-09-04 US disclosed
US-20050222159-A1 Pyrazine derivatives and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-10-06 US disclosed
US-5750735-A CHEMICAL INTERMEDIATES FOR ANTIBIOTICS AMERICAN CYANAMID COMPANY (US) 1998-05-12 US disclosed
US-5744465-A Method of inhibiting a β-lactamase enzyme by administering novel 2-thiosubstituted carbapenems AMERICAN CYANAMID COMPANY (US) 1998-04-28 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-20050222159-A1 Pyrazine derivatives and pharmaceutical use thereof ADORA2A, HTR5A, ADORA1 PSMB8 4590/4885PSMB5 1184/4885MGLL 3736/4885
US-20090012054-A1 Cephem Compounds and Use as Antimicrobial Agents CEP170, Q6ZSR9, H1-10 PSMB8 1808/4885PSMB5 1935/4885MGLL 4605/4885

“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.