SCHEMBL10235256

SCHEMBL10235256

NS(=O)(=O)OC[C@H]1CC[C@H](n2ccc3c(NCc4ccc5c(c4)OCO5)ncnc32)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.46
AURKA O14965 1/20 0.46
RPS6KB1 P23443 1/20 0.46
AURKB Q96GD4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL13192031 0.86 NAE1 (0.44) AURKARPS6KB1AURKB
SCHEMBL192776 0.86 NAE1 (0.57) PDE5AKDM4EMAPTMAPK1AURKA
SCHEMBL10233932 0.85 CA2 (0.46) MAPTMAPK1RXFP1
SCHEMBL10293821 0.85 NAE1 (0.51) KDM4EAURKARPS6KB1ALDH1A1HPGD
SCHEMBL14447556 0.85 NAE1 (0.45)
SCHEMBL2740595 0.84 METTL3 (0.49) PDE5AMAPTMAPK1
SCHEMBL10293817 0.83 NAE1 (0.44) AURKARPS6KB1AURKB
SCHEMBL10242205 0.83 NAE1 (0.49) AURKARPS6KB1
SCHEMBL2740570 0.81 NAE1 (0.44) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL10236832 0.81 NAE1 (0.44)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120258927-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENIUM PHARMACEUTICALS, INC. (US) 2012-10-11 US disclosed
US-20120258977-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-10-11 US disclosed
US-8207177-B2 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-20070191293-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 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 (3 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-20120258977-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 PDE5A 2521/4885KDM4E 1307/4885MAPT 2221/4885
US-20120258927-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 PDE5A 2521/4885KDM4E 1307/4885MAPT 2221/4885
US-20070191293-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 PDE5A 2521/4885KDM4E 1307/4885MAPT 2221/4885

“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.