SCHEMBL12566825

SCHEMBL12566825

NS(=O)(=O)OC[C@@H]1CC[C@H](n2ccc3c(Cl)nccc32)O1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.34
▸ CA1 P00915 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ NAE1 Q13564 2/20 0.30
▸ GRK5 P34947 1/20 0.30
▸ CSNK1A1 P48729 1/20 0.30
▸ UBA6 A0AVT1 1/20 0.30
▸ NEDD8 Q15843 1/20 0.30
▸ UBA3 Q8TBC4 1/20 0.30
▸ SAE1 Q9UBE0 1/20 0.30
▸ UBA2 Q9UBT2 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
SCHEMBL12566443 0.81 KLKB1 (0.40) CA2NAE1GRK5CSNK1A1UBA6
SCHEMBL23584536 0.81 ALDH1A1 (0.30) —
SCHEMBL1799305 0.81 ATG7 (0.45) —
SCHEMBL23584662 0.80 ABL1 (0.40) —
SCHEMBL13773407 0.76 CA2 (0.43) CA2CA1CA9
SCHEMBL23584651 0.75 — —
SCHEMBL12566870 0.73 ATG7 (0.43) CA2NAE1GRK5CSNK1A1UBA6
SCHEMBL12652428 0.72 BCHE (0.43) CA2CA1CA4CA9NAE1
SCHEMBL12566880 0.72 CYP1A2 (0.35) CA2
SCHEMBL12652426 0.70 ATG7 (0.46) CA2NAE1GRK5CSNK1A1UBA6

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-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-09 — — 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 CA2 3826/4885CA1 2434/4885CA4 3816/4885

“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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