SCHEMBL14735529

SCHEMBL14735529

O=Cc1cn(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.77
UBE2N P61088 1/20 0.77
CA2 P00918 2/20 0.60
CA9 Q16790 2/20 0.60
HTR6 P50406 12/20 0.59
KLK7 P49862 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH3A1 P30838 1/20 0.49
ALDH1A1 P00352 1/20 0.46
IMPDH2 P12268 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C1 Q04828 1/20 0.46

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
SCHEMBL29576861 0.88 KDM4E (0.81) KDM4EUBE2NCA2CA9HTR6
SCHEMBL723339 0.88 KDM4E (0.81) KDM4EUBE2NCA2CA9HTR6
SCHEMBL29694480 0.87 KDM4E (1.00) KDM4EUBE2NCA2CA9HTR6
SCHEMBL946372 0.87 KDM4E (1.00) KDM4EUBE2NCA2CA9HTR6
SCHEMBL946340 0.86 KDM4E (0.77) KDM4EUBE2NCA2CA9HTR6
SCHEMBL946492 0.86 KDM4E (0.77) KDM4EUBE2NCA2CA9HTR6
SCHEMBL30542061 0.86 KDM4E (0.77) KDM4EUBE2NCA2CA9HTR6
SCHEMBL946643 0.85 KDM4E (0.76) KDM4EUBE2NCA2CA9HTR6
SCHEMBL14735377 0.83 KDM4E (0.73) KDM4EUBE2NCA2CA9HTR6
SCHEMBL945672 0.83 KDM4E (0.58) KDM4EUBE2NCA2CA9HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103391936-B Carcinostatic agent THE UNIVERSITY OF TOKYO (JP) 2016-04-27 CN disclosed
EP-2565192-B9 ANTICANCER AGENT UNIV TOKYO (JP) 2015-11-25 EP disclosed
US-9156827-B2 Anticancer agent THE UNIVERSITY OF TOKYO (JP) 2015-10-13 US disclosed
EP-2565192-B1 ANTICANCER AGENT UNIV TOKYO (JP) 2015-08-12 EP disclosed
US-20130102776-A1 ANTICANCER AGENT RIKEN (JP) 2013-04-25 US disclosed
EP-2565192-A1 ANTICANCER AGENT The University of Tokyo (JP) 2013-03-06 EP 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-20130102776-A1 ANTICANCER AGENT PIM1, PIM3, PIM2 KDM4E 540/4885UBE2N 2544/4885CA2 3005/4885

“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.