SCHEMBL13908945

SCHEMBL13908945

CC(=O)OC1CC(n2ccnc2[N+](=O)[O-])OC1COS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RNASE1 P07998 1/20 0.32
CA1 P00915 4/20 0.32
CA2 P00918 4/20 0.32
CA12 O43570 3/20 0.32
CA9 Q16790 3/20 0.32
ATG7 O95352 2/20 0.31
ALDH1A1 P00352 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
F2 P00734 1/20 0.30
P2RY1 P47900 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
SCHEMBL15183379 0.83 CA1 (0.39) CA1CA2CA12CA9ALDH1A1
SCHEMBL13908946 0.83 POLB (0.39) RNASE1CA1CA2CA12CA9
SCHEMBL13908942 0.82 KMT2A (0.33) RNASE1CA1CA2CA12CA9
SCHEMBL13908921 0.78 SMYD2 (0.33) RNASE1
SCHEMBL16367297 0.78 L3MBTL1 (0.40) CA1CA2CA9ATG7
SCHEMBL5912259 0.74 CA1 (0.43) CA1CA2CA12CA9ALDH1A1
SCHEMBL13908941 0.74 POLB (0.49) RNASE1CA1CA2CA9ALDH1A1
SCHEMBL11864009 0.70 CA1 (0.32) CA1CA2CA12CA9
SCHEMBL11864020 0.70 CA1 (0.32) CA1CA2CA12CA9
SCHEMBL11674209 0.70 CA1 (0.32) CA1CA2CA12CA9

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-20090060836-A1 DERIVATIVES OF 2-NITRO-1,3-IMIDAZOLE COUPLED TO AMINO ACIDS AND DEOXYRIBOSE USEFUL FOR THE DETECTION OF HYPOXIC BIOLOGICAL TISSUE EBERHARD-KARLS-UNIVERSITAET TUBINGEN UNIVERSITAETSKLINIKUM (DE) 2009-03-05 US disclosed
US-20090060836-A1 DERIVATIVES OF 2-NITRO-1,3-IMIDAZOLE COUPLED TO AMINO ACIDS AND DEOXYRIBOSE USEFUL FOR THE DETECTION OF HYPOXIC BIOLOGICAL TISSUE EBERHARD-KARLS-UNIVERSITAET TUBINGEN UNIVERSITAETSKLINIKUM (DE) 2009-03-05 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-20090060836-A1 DERIVATIVES OF 2-NITRO-1,3-IMIDAZOLE COUPLED TO AMINO ACIDS AND DEOXYRIBOSE USEFUL FOR THE DETECTION OF HYPOXIC BIOLOGICAL TISSUE HIF1AN, HIF1A, HYOU1 RNASE1 454/4885CA1 513/4885CA2 165/4885

“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.