SCHEMBL2299797

SCHEMBL2299797

CC(C)(C)OC(=O)NCCNC(=O)c1cccc2c1BOC2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.42
NAMPT P43490 4/20 0.41
KCNA5 P22460 1/20 0.41
MALT1 Q9UDY8 1/20 0.38
DRD2 P14416 6/20 0.38
CSNK1D P48730 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
BCHE P06276 1/20 0.37
NQO2 P16083 1/20 0.37
IDO1 P14902 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL28027633 0.77 KCNA5 (0.56) CXCR2KCNA5MALT1DRD2BCHE
SCHEMBL26936105 0.72 HPGD (0.64) NAMPTDRD2
SCHEMBL1657927 0.72 ESRRG (0.56) CXCR2KCNA5MALT1BCHEIDO1
SCHEMBL4059012 0.71 HPGD (0.56) KCNA5MALT1BCHEIDO1SIGMAR1
SCHEMBL14691000 0.71 KCNA5 (0.46) CXCR2KCNA5MALT1CSNK1DBCHE
SCHEMBL14690580 0.70 CRBN (0.51) CXCR2KCNA5MALT1BCHEIDO1
SCHEMBL9743749 0.70 KCNA5 (0.56) CXCR2KCNA5MALT1DRD2BCHE
SCHEMBL14691066 0.70 DRD2 (0.45) CXCR2KCNA5MALT1DRD2CSNK1D
SCHEMBL9540574 0.69 KCNA5 (0.58) CXCR2KCNA5MALT1DRD2BCHE
SCHEMBL284764 0.69 SMN1; SMN2 (0.55) MALT1BCHENQO2

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-20110207701-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-08-25 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-20110207701-A1 BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS BTD, BAD, BRI3BP CXCR2 1176/4885NAMPT 516/4885KCNA5 3717/4885

“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.