SCHEMBL12566880

SCHEMBL12566880

NS(=O)(=O)OC[C@@H]1CC[C@H](n2ccc3cncnc32)O1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.35
▸ CA2 P00918 2/20 0.34
▸ PRMT5 O14744 2/20 0.34
▸ BCHE P06276 1/20 0.34
▸ ATG7 O95352 10/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALB P02768 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33

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
SCHEMBL14544500 0.81 ABL1 (0.44) CYP1A2PRMT5ALDH1A1LMNAALB
SCHEMBL1795315 0.81 ATG7 (0.52) CA2ATG7
SCHEMBL12566870 0.78 ATG7 (0.43) CA2PRMT5BCHEATG7WDR77
SCHEMBL13773407 0.77 CA2 (0.43) CYP1A2CA2ATG7ALDH1A1LMNA
SCHEMBL23892436 0.75 PRMT5 (0.47) PRMT5WDR77
SCHEMBL18572554 0.75 PRMT5 (0.47) PRMT5WDR77
SCHEMBL12652426 0.75 ATG7 (0.46) CA2PRMT5ATG7WDR77
SCHEMBL13773372 0.74 BCHE (0.54) CYP1A2BCHEALDH1A1LMNAALB
SCHEMBL14563561 0.74 NAE1 (0.53) CA2
SCHEMBL12567150 0.73 BCHE (0.47) CYP1A2BCHEATG7ALDH1A1LMNA

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 CYP1A2 644/4885CA2 3826/4885PRMT5 870/4885

“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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