SCHEMBL23414048

SCHEMBL23414048

CC(C)(C)OC(=O)Oc1c(Br)ccc(F)c1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.39
▸ CA2 P00918 2/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ GRM6 O15303 1/20 0.32
▸ TTR P02766 1/20 0.31
▸ KDM1A O60341 1/20 0.30
▸ SSTR4 P31391 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
SCHEMBL31006018 0.85 ELANE (0.41) ELANECA2CA12CA1CA9
SCHEMBL18857950 0.85 ELANE (0.41) ELANECA2CA12CA1CA9
SCHEMBL17286509 0.84 ESR1 (0.41) ELANE
SCHEMBL31617775 0.84 ELANE (0.40) ELANECA2CA12CA1CA9
SCHEMBL18857953 0.84 ELANE (0.40) ELANECA2CA12CA1CA9
SCHEMBL23413671 0.83 NOTUM (0.40) ELANECA2CA12CA1CA9
SCHEMBL18857933 0.83 ELANE (0.39) ELANECA2CA12CA1CA9
SCHEMBL18675818 0.83 MTNR1A (0.39) ELANECA2CA12CA1CA9
SCHEMBL23413776 0.81 ELANE (0.37) ELANECA2CA12CA1CA9
SCHEMBL15867220 0.81 ELANE (0.37) ELANECA2GRM6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230114728-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2023-04-13 — — US disclosed
WO-2021108023-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-03 — — WO 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-20230114728-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL ELANE 44/4885CA2 2155/4885CA12 3028/4885

“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.

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