Sugi Predict

Sugi Predict / Compounds / SCHEMBL4856100

SCHEMBL4856100

SCHEMBL4856100

CC(C)(C)OC(=O)N1CC(=NOCc2ccccc2)c2ccccc2N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.38
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ STS P08842 1/20 0.34
▸ ACHE P22303 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ KLK7 P49862 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ CCNB2 O95067 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CCNB1 P14635 1/20 0.32

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
SCHEMBL14196714 0.88 MAPK1 (0.39) MAPK1STSACHEGPR119CCNB2
SCHEMBL4863074 0.88 MAPK1 (0.39) MAPK1STSACHEGPR119CCNB2
SCHEMBL14425277 0.88 MAPK1 (0.40) MAPK1MEN1KMT2AGPR119CCNB2
SCHEMBL5317820 0.86 NPC1 (0.37) MAPK1NPC1RAB9AGAASMN1; SMN2
SCHEMBL5317825 0.86 NPC1 (0.37) MAPK1NPC1RAB9AGAASMN1; SMN2
SCHEMBL14196720 0.84 MAPK1 (0.38) MAPK1GAAMEN1KMT2ACCNB2
SCHEMBL4863766 0.76 MAPK1 (0.46) MAPK1GPR119CCNB2CDK1CCNB1
SCHEMBL18484113 0.74 HSD11B1 (0.45) MAPK1NPC1RAB9AGAASMN1; SMN2
SCHEMBL5321199 0.70 CYP3A4 (0.35) MEN1KMT2A
SCHEMBL27534101 0.70 ESR2 (0.47) MAPK1NPC1RAB9AHSD11B1MEN1

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
US-7365071-B2 Heterocyclic compounds, preparation process and intermediates, and use as medicaments, in particular as β-lactamase inhibitors and antibacterials AVENTIS PHARMA S.A. (FR) 2008-04-29 — — US disclosed
US-20070191312-A1 NOVEL HETEROCYCLIC COMPOUNDS, PREPARATION PROCESS AND INTERMEDIATES, AND USE AS MEDICAMENTS, IN PARTICULAR AS BETA-LACTAMASE INHIBITORS AND ANTIBACTERIALS MUSICKI BRANISLAV 2007-08-16 — — US disclosed
US-20040097490-A1 Novel heterocyclic compounds, preparation process and intermediates, and use as medicaments, in particular as B-lactamase inhibitors and antibacterials AVENTIS PHARMA S.A. (FR) 2004-05-20 — — 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-20040097490-A1 Novel heterocyclic compounds, preparation process and intermediates, and use as medicaments, in particular as B-lactamase inhibitors and antibacterials GAA, BBOX1, BPGM MAPK1 1623/4885NPC1 2019/4885RAB9A 2376/4885
US-20070191312-A1 NOVEL HETEROCYCLIC COMPOUNDS, PREPARATION PROCESS AND INTERMEDIATES, AND USE AS MEDICAMENTS, IN PARTICULAR AS BETA-LACTAMASE INHIBITORS AND ANTIBACTERIALS GAA, PEPD, MGAM MAPK1 2427/4885NPC1 2642/4885RAB9A 2499/4885

“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.