SCHEMBL3068341

SCHEMBL3068341

O=[N+](O)c1cc(Cl)cc(S(=O)(=O)N(CP(=O)([O-])O)c2cccc3ccccc23)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
KEAP1 Q14145 8/20 0.36
NFE2L2 Q16236 8/20 0.36
S1PR1 P21453 1/20 0.33
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
HTT P42858 2/20 0.31
KMT2A Q03164 2/20 0.31
PER2 O15055 1/20 0.31
CRY1 Q16526 1/20 0.31
CRY2 Q49AN0 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
STAT3 P40763 1/20 0.30

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
SCHEMBL3068339 0.85 KDM4E (0.38) KDM4EKEAP1NFE2L2MEN1MAPT
SCHEMBL2055508 0.85 KDM4E (0.38) KDM4EKEAP1NFE2L2MEN1MAPT
SCHEMBL1754451 0.81 KDM4E (0.44) KDM4EKEAP1NFE2L2S1PR1MEN1
SCHEMBL2055403 0.77 CYP19A1 (0.35) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL2055509 0.76 KDM4E (0.40) KDM4EKEAP1NFE2L2S1PR1MEN1
SCHEMBL2055484 0.76 KDM4E (0.40) KDM4EKEAP1NFE2L2S1PR1MEN1
SCHEMBL2055489 0.76 KDM4E (0.40) KDM4EKEAP1NFE2L2S1PR1MEN1
SCHEMBL2055487 0.76 KDM4E (0.40) KDM4EKEAP1NFE2L2S1PR1MEN1
SCHEMBL2055500 0.74 KEAP1 (0.40) KDM4EKEAP1NFE2L2S1PR1MEN1
SCHEMBL2055493 0.74 L3MBTL1 (0.42) KDM4EKEAP1NFE2L2S1PR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261677-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
EP-2200987-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2010-06-30 EP disclosed
WO-2009030715-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-12 WO 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-20100261677-A1 ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS ARSA, SULT2A1, PMM2 KDM4E 1336/4885KEAP1 3301/4885NFE2L2 2068/4885

“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.