SCHEMBL2055396

SCHEMBL2055396

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
KEAP1 Q14145 2/20 0.35
NFE2L2 Q16236 2/20 0.35
ACLY P53396 5/20 0.35
NR3C1 P04150 1/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HCRTR2 O43614 1/20 0.32
PTGER1 P34995 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
APAF1 O14727 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
S1PR1 P21453 1/20 0.31
NR1I2 O75469 1/20 0.31
C1R P00736 1/20 0.31
PRSS1 P07477 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31

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) KDM4EKEAP1NFE2L2ACLYLMNA
SCHEMBL2055372 0.87 KDM4E (0.38) KDM4EKEAP1NFE2L2LMNAHPGD
SCHEMBL2055375 0.86 KDM4E (0.37) KDM4EKEAP1NFE2L2ACLYLMNA
SCHEMBL2055465 0.86 KDM4E (0.37) KDM4EKEAP1NFE2L2LMNAHPGD
SCHEMBL2055374 0.86 KDM4E (0.37) KDM4EKEAP1NFE2L2ACLYLMNA
SCHEMBL2055500 0.85 KEAP1 (0.40) KDM4EKEAP1NFE2L2ACLYNR3C1
SCHEMBL2055362 0.84 S1PR1 (0.35) KDM4EKEAP1NFE2L2ACLYLMNA
SCHEMBL2055384 0.83 HDAC8 (0.37) KDM4EKEAP1NFE2L2ACLYLMNA
SCHEMBL2055403 0.83 CYP19A1 (0.35) KDM4ELMNAHPGDMAPTTUBB4A
SCHEMBL2055393 0.82 KDM4E (0.38) KDM4EKEAP1NFE2L2LMNAHPGD

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 6 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

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.