SCHEMBL12566440

SCHEMBL12566440

NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(-c4ccc(Br)cc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DNPH1 O43598 12/20 0.62
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ CA4 P22748 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ UBA6 A0AVT1 1/20 0.55
▸ ATG7 O95352 1/20 0.55
▸ UBA7 P41226 1/20 0.55
▸ NAE1 Q13564 1/20 0.55
▸ UBA3 Q8TBC4 1/20 0.55
▸ SAE1 Q9UBE0 1/20 0.55

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
SCHEMBL12566425 0.91 DNPH1 (0.62) DNPH1CA1CA2CA4CA9
SCHEMBL12566847 0.91 DNPH1 (0.62) DNPH1CA1CA2CA4CA9
SCHEMBL1796907 0.91 DNPH1 (0.73) DNPH1CA1CA2CA4CA9
SCHEMBL12566850 0.89 DNPH1 (0.76) DNPH1CA1CA2CA4CA9
SCHEMBL12566848 0.89 DNPH1 (0.61) DNPH1CA1CA2CA4CA9
SCHEMBL12567223 0.85 CA1 (0.56) DNPH1CA1CA2CA4CA9
SCHEMBL12652511 0.84 DNPH1 (0.63) DNPH1CA1CA2CA4CA9
SCHEMBL1798212 0.84 CA1 (0.53) CA1CA2CA4CA9UBA6
SCHEMBL1797355 0.83 UBA6 (0.57) DNPH1CA1CA2CA4CA9
SCHEMBL1797794 0.83 UBA6 (0.59) UBA6ATG7UBA7NAE1UBA3

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-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-09 — — US disclosed
US-7951810-B2 Substituted pyrrolo[2,3-d]pyrimidines as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 — — 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-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 DNPH1 336/4885CA1 2434/4885CA2 3826/4885

“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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