SCHEMBL2055368

SCHEMBL2055368

CCOP(=O)(CN(c1cccc2ncccc12)S(=O)(=O)c1cc(Cl)cc(Cl)c1)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CLK1 P49759 1/20 0.37
POLB P06746 1/20 0.36
HTR6 P50406 3/20 0.35
C1R P00736 1/20 0.34
PRSS1 P07477 1/20 0.34
SCN9A Q15858 1/20 0.33
PTGER1 P34995 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
S1PR1 P21453 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR7 P34969 1/20 0.32
PABPC1 P11940 1/20 0.32
EIF4H Q15056 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 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
SCHEMBL2055407 0.87 HCRTR2 (0.34) MEN1KMT2AC1RPRSS1PTGER1
SCHEMBL2055401 0.87 S1PR1 (0.33) NR3C1MEN1KMT2APOLBC1R
SCHEMBL2055369 0.85 MEN1 (0.42) MEN1KMT2APOLBS1PR1LMNA
SCHEMBL2055357 0.85 KDM4E (0.40) MEN1KMT2AC1RPRSS1KEAP1
SCHEMBL2055483 0.85 MEN1 (0.40) NR3C1MEN1KMT2ACLK1HTR6
SCHEMBL2055380 0.84 KEAP1 (0.38) POLBKEAP1NFE2L2S1PR1LMNA
SCHEMBL13905580 0.84 S1PR1 (0.35) PTGER1KEAP1NFE2L2S1PR1L3MBTL1
SCHEMBL2055402 0.83 MEN1 (0.33) MEN1KMT2APOLBC1RPRSS1
SCHEMBL2055379 0.81 DOT1L (0.38) HTR6SCN9AS1PR1HTR7LMNA
SCHEMBL2055367 0.81 HTT (0.40) MEN1KMT2AKEAP1NFE2L2S1PR1

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 5 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-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

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 NR3C1 2263/4885MEN1 2590/4885KMT2A 494/4885

“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.