SCHEMBL2055431

SCHEMBL2055431

COc1ccc2ccccc2c1NS(=O)(=O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.59
ACLY P53396 3/20 0.57
SLC40A1 Q9NP59 1/20 0.49
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
G6PD P11413 1/20 0.47
HTR6 P50406 1/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
AGTR1 P30556 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
PGR P06401 1/20 0.45

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
SCHEMBL2055425 0.83 G6PD (0.51) HCRTR1ACLYSLC40A1G6PDCYP3A4
SCHEMBL2055413 0.82 ACLY (0.54) HCRTR1ACLYSLC40A1MEN1KMT2A
SCHEMBL2055433 0.81 G6PD (0.49) HCRTR1ACLYG6PDCYP3A4PGR
SCHEMBL13905622 0.81 G6PD (0.49) HCRTR1ACLYG6PDCYP3A4PGR
SCHEMBL1320719 0.81 ACLY (0.53) ACLYMEN1KMT2AHTR6MAPT
SCHEMBL2055428 0.80 KEAP1 (0.67) ACLYKEAP1NFE2L2MEN1KMT2A
SCHEMBL2056450 0.79 G6PD (0.50) ACLYG6PDPGRHKDC1
SCHEMBL2055423 0.78 G6PD (0.46) HCRTR1ACLYG6PDPGRHKDC1
SCHEMBL2055468 0.76 ACLY (0.51) ACLYKMT2AG6PDHTTPGR
SCHEMBL2055438 0.76 ACLY (0.48) HCRTR1ACLYG6PDHKDC1

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 HCRTR1 4676/4885ACLY 633/4885SLC40A1 2499/4885

“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.