SCHEMBL3068339

SCHEMBL3068339

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
KEAP1 Q14145 3/20 0.37
NFE2L2 Q16236 3/20 0.37
SIGMAR1 Q99720 1/20 0.37
MMP2 P08253 2/20 0.36
ALOX5 P09917 2/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
RORC P51449 1/20 0.36
PTPN1 P18031 1/20 0.35
PTGES O14684 1/20 0.34
CYP19A1 P11511 1/20 0.34
ACP3 P15309 1/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL2055508 1.00 KDM4E (0.38) KDM4EKEAP1NFE2L2SIGMAR1MMP2
SCHEMBL1754451 0.88 KDM4E (0.44) KDM4EKEAP1NFE2L2SIGMAR1ACP3
SCHEMBL2055403 0.86 CYP19A1 (0.35) KDM4ESIGMAR1CYP19A1POLBLMNA
SCHEMBL3068341 0.85 KDM4E (0.37) KDM4EKEAP1NFE2L2SIGMAR1MMP2
SCHEMBL2055487 0.83 KDM4E (0.40) KDM4EKEAP1NFE2L2RORCACP3
SCHEMBL2055484 0.83 KDM4E (0.40) KDM4EKEAP1NFE2L2ACP3MEN1
SCHEMBL2055489 0.83 KDM4E (0.40) KDM4EKEAP1NFE2L2MMP9ACP3
SCHEMBL2055509 0.83 KDM4E (0.40) KDM4EKEAP1NFE2L2SIGMAR1ACP3
SCHEMBL2055493 0.81 L3MBTL1 (0.42) KDM4EKEAP1NFE2L2RORCMEN1
SCHEMBL2055500 0.81 KEAP1 (0.40) KDM4EKEAP1NFE2L2RORCACP3

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.