SCHEMBL18857950

SCHEMBL18857950

CC(C)(C)OC(=O)Oc1ccc(Br)c(OC(=O)OC(C)(C)C)c1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.41
▸ BRD4 O60885 2/20 0.34
▸ CA2 P00918 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ GRM6 O15303 1/20 0.33
▸ AAK1 Q2M2I8 3/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ PKM P14618 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 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 1.00 ELANE (0.41) ELANEBRD4CA2CA12CA1
SCHEMBL18675818 0.91 MTNR1A (0.39) ELANECA2CA12CA1CA9
SCHEMBL18089428 0.90 ELANE (0.40) ELANEBRD4CA2CA12CA1
SCHEMBL18857968 0.88 KMT2A (0.37) ELANEBRD4CA9AAK1MEN1
SCHEMBL18857953 0.87 ELANE (0.40) ELANECA2CA12CA1CA9
SCHEMBL31617775 0.87 ELANE (0.40) ELANECA2CA12CA1CA9
SCHEMBL25836597 0.87 ELANE (0.40) ELANEBRD4CA2CA12CA1
SCHEMBL23414048 0.85 ELANE (0.39) ELANECA2CA12CA1CA9
SCHEMBL18857933 0.85 ELANE (0.39) ELANECA2CA12CA1CA9
SCHEMBL23413776 0.83 ELANE (0.37) ELANECA2CA12CA1CA9

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
CN-112135830-B Oxo-substituted compounds 住友制药株式会社 2024-06-14 — — CN disclosed
US-11066425-B1 Oxo-substituted compound SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2021-07-20 — — US disclosed
CN-112135830-A Oxo substituted compounds 大日本住友制药株式会社 2020-12-25 — — CN disclosed
US-20170136047-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2017-05-18 — — 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-11066425-B1 Oxo-substituted compound CYP51A1, OXA1L, O60361 ELANE 359/4885BRD4 2396/4885CA2 2029/4885
US-20170136047-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF BCL6B, BTD, BCL6 ELANE 108/4885BRD4 806/4885CA2 287/4885

“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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