SCHEMBL2058804

SCHEMBL2058804

COCOCc1ccc(F)cc1B1OCCO1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.31
AGXT P21549 2/20 0.31
NR3C1 P04150 1/20 0.30
PGR P06401 1/20 0.30
NR3C2 P08235 1/20 0.30
AR P10275 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
SCHEMBL500762 0.89 CA1 (0.32) NR3C1PGRNR3C2AR
SCHEMBL10213873 0.84 CA1 (0.31)
SCHEMBL10213876 0.84 CA1 (0.31)
SCHEMBL599785 0.80 CA12 (0.30)
SCHEMBL10213875 0.77 NR3C1 (0.32) NR3C1PGRNR3C2AR
SCHEMBL14470727 0.72
SCHEMBL10213857 0.71 CXCR2 (0.41) NR3C1PGRNR3C2AR
SCHEMBL500057 0.71 IDO1 (0.37) IDO1AGXT
SCHEMBL14470726 0.69 NR3C1 (0.32) NR3C1PGRNR3C2AR
SCHEMBL500146 0.68 NR3C1 (0.34) IDO1AGXTNR3C1PGRNR3C2

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-7968752-B2 Hydrolytically-resistant boron-containing therapeutics and methods of use ANACOR PHARMACEUTICALS, INC. (US) 2011-06-28 US disclosed
US-20090239824-A1 HYDROLYTICALLY-RESISTANT BORON-CONTAINING THERAPEUTICS AND METHODS OF USE ANACOR PHARMACEUTICALS, INC. (US) 2009-09-24 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-20090239824-A1 HYDROLYTICALLY-RESISTANT BORON-CONTAINING THERAPEUTICS AND METHODS OF USE BTD, GAA, GBA3 IDO1 2697/4885AGXT 317/4885NR3C1 4137/4885

“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.