SCHEMBL2055384

SCHEMBL2055384

CCOP(=O)(CN(c1cccc2ccccc12)S(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
S1PR1 P21453 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KEAP1 Q14145 2/20 0.35
NFE2L2 Q16236 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
DDR1 Q08345 1/20 0.33
ACLY P53396 4/20 0.32
RORC P51449 1/20 0.32
PTGER1 P34995 1/20 0.32
HTT P42858 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
ATF1 P18846 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL2055357 0.90 KDM4E (0.40) L3MBTL1S1PR1KEAP1NFE2L2KDM4E
SCHEMBL2055375 0.88 KDM4E (0.37) L3MBTL1S1PR1KEAP1NFE2L2KDM4E
SCHEMBL2055372 0.87 KDM4E (0.38) S1PR1KEAP1NFE2L2KDM4EHPGD
SCHEMBL2055465 0.86 KDM4E (0.37) L3MBTL1S1PR1KEAP1NFE2L2KDM4E
SCHEMBL2055374 0.86 KDM4E (0.37) L3MBTL1S1PR1KEAP1NFE2L2KDM4E
SCHEMBL2055493 0.85 L3MBTL1 (0.42) HDAC8L3MBTL1S1PR1HDAC3HDAC11
SCHEMBL2055393 0.84 KDM4E (0.38) L3MBTL1KEAP1NFE2L2KDM4EHPGD
SCHEMBL2055396 0.83 KDM4E (0.35) S1PR1KEAP1NFE2L2KDM4EHPGD
SCHEMBL2055403 0.83 CYP19A1 (0.35) KDM4EHPGDLMNA
SCHEMBL2055373 0.81 KDM4E (0.41) KEAP1NFE2L2KDM4EHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163911-B2 Arylsulfonylaminomethylphosphonic acid derivatives, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 US disclosed
US-8163911-B2 Arylsulfonylaminomethylphosphonic acid derivatives, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 US disclosed
US-8163911-B2 Arylsulfonylaminomethylphosphonic acid derivatives, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-24 US disclosed
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
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
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
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 HDAC8 3280/4885L3MBTL1 4481/4885S1PR1 148/4885

“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.