SCHEMBL15077459

SCHEMBL15077459

CC1(C)OC[C@H](COc2cc(C=O)ccc2F)O1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 13/20 0.42
▸ CA2 P00918 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ FDPS P14324 1/20 0.35

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
SCHEMBL15074996 0.85 AOC2 (0.38) MAPK14ALDH1A1FDPS
SCHEMBL23374815 0.83 P2RX3 (0.41) MAPK14CA2ALDH1A1
SCHEMBL945863 0.83 P2RX3 (0.41) MAPK14CA2ALDH1A1
SCHEMBL944361 0.83 P2RX3 (0.41) MAPK14CA2ALDH1A1
SCHEMBL16447323 0.81 MAPK14 (0.50) MAPK14CA2
SCHEMBL15077466 0.81 MAPK14 (0.50) MAPK14CA2
SCHEMBL3598217 0.80 APP (0.48) MAPK14CA2ALDH1A1
SCHEMBL251926 0.80 APP (0.48) MAPK14CA2ALDH1A1
SCHEMBL382940 0.80 APP (0.48) MAPK14CA2ALDH1A1
SCHEMBL12673084 0.78 ALDH1A1 (0.46) MAPK14CA2ALDH1A1

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
US-8530452-B2 Tricyclic boron compounds for antimicrobial therapy MICURX PHARMACEUTICALS, INC. (KY) 2013-09-10 — — US disclosed
US-8530452-B2 Tricyclic boron compounds for antimicrobial therapy MICURX PHARMACEUTICALS, INC. (KY) 2013-09-10 — — US disclosed
US-20130165411-A1 TRICYCLIC BORON COMPOUNDS FOR ANTIMICROBIAL THERAPY MICURX PHARMACEUTICALS, INC. (KY) 2013-06-27 — — US disclosed
US-20130165411-A1 TRICYCLIC BORON COMPOUNDS FOR ANTIMICROBIAL THERAPY MICURX PHARMACEUTICALS, INC. (KY) 2013-06-27 — — 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-20130165411-A1 TRICYCLIC BORON COMPOUNDS FOR ANTIMICROBIAL THERAPY TBCA, TBCB, BTD MAPK14 1350/4885CA2 2414/4885ALDH1A1 4409/4885

“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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