Sugi Predict

Sugi Predict / Compounds / SCHEMBL4144345

SCHEMBL4144345

SCHEMBL4144345

C=CCOc1cccc2c1C(NOCc1ccccc1)CN(C(=O)O)C2C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TP53 P04637 2/20 0.35
▸ MAPT P10636 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ TSHR P16473 1/20 0.33
▸ CXCR5 P32302 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ LIG1 P18858 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ACE P12821 1/20 0.33

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
SCHEMBL4696919 0.90 MEN1 (0.36) MEN1KMT2AFAAHPOLBLIG1
SCHEMBL5186348 0.85 POLB (0.38) MAPTELANEFAAHL3MBTL1POLB
SCHEMBL5187180 0.84 KMT2A (0.38) MEN1KMT2ATP53MAPTELANE
SCHEMBL4139603 0.82 MEN1 (0.39) MEN1KMT2ATP53MAPTTSHR
SCHEMBL4135218 0.76 MEN1 (0.37) MEN1KMT2ATP53MAPTELANE
SCHEMBL4135216 0.76 MEN1 (0.37) MEN1KMT2ATP53MAPTELANE
SCHEMBL5185631 0.76 KMT2A (0.39) MEN1KMT2ATP53MAPTL3MBTL1
SCHEMBL5255876 0.75 MEN1 (0.37) MEN1KMT2ACXCR5POLBLIG1
SCHEMBL4149091 0.75 MEN1 (0.40) MEN1KMT2ATP53MAPTELANE
SCHEMBL4149083 0.75 MEN1 (0.40) MEN1KMT2ATP53MAPTELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS NOVEXEL (FR) 2009-01-15 — — US disclosed
US-7439253-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors NOVEXEL (FR) 2008-10-21 — — US disclosed
US-7288549-B2 Heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents AVENTIS PHARMA S.A. (FR) 2007-10-30 — — US disclosed
US-20040157826-A1 Novel heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors AVENTIS PHARMA S.A. (FR) 2004-08-12 — — 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-20040157826-A1 Novel heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors GAA, ALPI, GANAB MEN1 588/4885KMT2A 2499/4885TP53 4654/4885
US-20090018329-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS GAA, GANAB, ALPI MEN1 711/4885KMT2A 2492/4885TP53 4700/4885

“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.