SCHEMBL12566802

SCHEMBL12566802

NS(=O)(=O)OC[C@@H]1CC[C@H](n2cnc3c(-c4ccccc4Cl)ncnc32)O1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.44
▸ CYP1A2 P05177 1/20 0.40
▸ NAE1 Q13564 2/20 0.40
▸ UBA3 Q8TBC4 2/20 0.40
▸ ATG7 O95352 2/20 0.40
▸ UBA6 A0AVT1 1/20 0.40
▸ UBA7 P41226 1/20 0.40
▸ SAE1 Q9UBE0 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALB P02768 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CA2 P00918 1/20 0.36
▸ DNPH1 O43598 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
SCHEMBL12566844 0.89 BCHE (0.44) BCHECYP1A2NAE1UBA3ATG7
SCHEMBL12652507 0.88 BCHE (0.45) BCHECYP1A2NAE1UBA3ATG7
SCHEMBL12567213 0.88 BCHE (0.43) BCHECYP1A2NAE1UBA3ATG7
SCHEMBL12566427 0.87 DNPH1 (0.47) BCHECYP1A2NAE1UBA3ATG7
SCHEMBL12566878 0.87 BCHE (0.42) BCHECYP1A2NAE1UBA3ATG7
SCHEMBL12566441 0.84 BCHE (0.43) BCHECYP1A2NAE1UBA3ATG7
SCHEMBL12652428 0.83 BCHE (0.43) BCHECYP1A2NAE1UBA3ATG7
SCHEMBL12566833 0.82 BCHE (0.41) BCHECYP1A2NAE1UBA3ATG7
SCHEMBL12567198 0.81 ATG7 (0.46) BCHECYP1A2NAE1UBA3ATG7
SCHEMBL13773372 0.80 BCHE (0.54) BCHECYP1A2ALDH1A1LMNAALB

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 BCHE 24/4885CYP1A2 644/4885NAE1 41/4885

“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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