SCHEMBL12566427

SCHEMBL12566427

NS(=O)(=O)OC[C@@H]1CC[C@H](n2cnc3c(-c4ccccc4)ncnc32)O1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DNPH1 O43598 6/20 0.47
▸ CYP1A2 P05177 1/20 0.44
▸ BCHE P06276 1/20 0.44
▸ NAE1 Q13564 2/20 0.42
▸ UBA3 Q8TBC4 2/20 0.42
▸ UBA6 A0AVT1 1/20 0.42
▸ ATG7 O95352 1/20 0.42
▸ UBA7 P41226 1/20 0.42
▸ SAE1 Q9UBE0 1/20 0.42
▸ ABL1 P00519 2/20 0.40
▸ RIN1 Q13671 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALB P02768 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NR2F2 P24468 2/20 0.39
▸ GALR3 O60755 1/20 0.39

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
SCHEMBL12566441 0.89 BCHE (0.43) DNPH1CYP1A2BCHENAE1UBA3
SCHEMBL12652416 0.89 DNPH1 (0.43) DNPH1CYP1A2BCHENAE1UBA3
SCHEMBL12566844 0.87 BCHE (0.44) DNPH1CYP1A2BCHENAE1UBA3
SCHEMBL12566802 0.87 BCHE (0.44) DNPH1CYP1A2BCHENAE1UBA3
SCHEMBL12567198 0.86 ATG7 (0.46) CYP1A2BCHENAE1UBA3UBA6
SCHEMBL12567152 0.85 DNPH1 (0.42) DNPH1CYP1A2BCHEABL1RIN1
SCHEMBL12567213 0.85 BCHE (0.43) DNPH1CYP1A2BCHENAE1UBA3
SCHEMBL12652507 0.85 BCHE (0.45) DNPH1CYP1A2BCHENAE1UBA3
SCHEMBL12566878 0.85 BCHE (0.42) DNPH1CYP1A2BCHENAE1UBA3
SCHEMBL12566864 0.84 BCHE (0.40) DNPH1CYP1A2BCHENAE1UBA3

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 336/4885CYP1A2 644/4885BCHE 24/4885

“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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