SCHEMBL18857953

SCHEMBL18857953

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.40
▸ CA2 P00918 3/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35
▸ EGFR P00533 1/20 0.32
▸ GRM6 O15303 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ KDM1A O60341 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ RXRA P19793 1/20 0.30
▸ NR1H2 P55055 1/20 0.30
▸ NR1H3 Q13133 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
SCHEMBL17410802 0.88 ELANE (0.40) ELANECA2CA12CA1CA9
SCHEMBL18857950 0.87 ELANE (0.41) ELANECA2CA12CA1CA9
SCHEMBL31006018 0.87 ELANE (0.41) ELANECA2CA12CA1CA9
SCHEMBL31617775 0.85 ELANE (0.40) ELANECA2CA12CA1CA9
SCHEMBL23414048 0.84 ELANE (0.39) ELANECA2CA12CA1CA9
SCHEMBL18857933 0.84 ELANE (0.39) ELANECA2CA12CA1CA9
SCHEMBL18675818 0.84 MTNR1A (0.39) ELANECA2CA12CA1CA9
SCHEMBL23413671 0.82 NOTUM (0.40) ELANECA2CA12CA1CA9
SCHEMBL31617843 0.82 ELANE (0.37) ELANECA2CA12CA1CA9
SCHEMBL23413776 0.82 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20170136047-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF BCL6B, BTD, BCL6 ELANE 108/4885CA2 287/4885CA12 258/4885

“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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