SCHEMBL686701

SCHEMBL686701

O=Nc1ccc(COC(=O)C2=CS[C@@H]3[C@@H](Br)C(=O)N23)cc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7172605 0.84 MMP1 (0.43) ELANE
SCHEMBL8888422 0.84 MMP1 (0.43) ELANE
SCHEMBL2923216 0.84 MMP1 (0.43) ELANE
SCHEMBL8807243 0.84 MMP1 (0.43) ELANE
SCHEMBL8807239 0.84 MMP1 (0.43) ELANE
SCHEMBL4967038 0.82 RAB9A (0.44)
SCHEMBL5907435 0.82 RAB9A (0.44)
SCHEMBL679070 0.82 RAB9A (0.44)
SCHEMBL9782707 0.71 ELANE (0.48) ELANEKMT2A
SCHEMBL8810567 0.70 MMP1 (0.43) ELANEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288063-A1 NOVEL FUSED BRIDGED BICYCLIC HETEROARYL SUBSTITUTED 6-ALKYLIDENE PENEMS AS POTENT BETA-LACTAMASE INHIBITORS NAEJA PHARMACEUTICAL INC. (CA) 2011-11-24 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 (1 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-20110288063-A1 NOVEL FUSED BRIDGED BICYCLIC HETEROARYL SUBSTITUTED 6-ALKYLIDENE PENEMS AS POTENT BETA-LACTAMASE INHIBITORS B2M, MRPL21, RCE1 ELANE 169/4885MEN1 3202/4885KMT2A 1622/4885

“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.